2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride

C117H162Cl2N18O21 — CID 157437435

IUPAC2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride
SMILESC.CC(=O)CCCCC(=O)O.CCOC(=O)C[C@H](N)c1cccnc1.CCOC(=O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccnc1.COC(=O)CCCCC(C)=O.COC(=O)CCCCc1ccc2c(n1)NCCC2.COC(=O)CCCCc1ccc2cccnc2n1.Cl.Cl.Nc1ncccc1C=O.O=C(O)CCCCc1ccc2c(n1)NCCC2.O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccnc1
InChIInChI=1S/C23H30N4O3.C21H26N4O3.C14H20N2O2.C14H16N2O2.C13H18N2O2.C10H14N2O2.C8H14O3.C7H12O3.C6H6N2O.CH4.2ClH/c1-2-30-22(29)15-20(18-8-5-13-24-16-18)27-21(28)10-4-3-9-19-12-11-17-7-6-14-25-23(17)26-19;26-19(25-18(13-20(27)28)16-6-3-11-22-14-16)8-2-1-7-17-10-9-15-5-4-12-23-21(15)24-17;2*1-18-13(17)7-3-2-6-12-9-8-11-5-4-10-15-14(11)16-12;16-12(17)6-2-1-5-11-8-7-10-4-3-9-14-13(10)15-11;1-2-14-10(13)6-9(11)8-4-3-5-12-7-8;1-7(9)5-3-4-6-8(10)11-2;1-6(8)4-2-3-5-7(9)10;7-6-5(4-9)2-1-3-8-6;;;/h5,8,11-13,16,20H,2-4,6-7,9-10,14-15H2,1H3,(H,25,26)(H,27,28);3,6,9-11,14,18H,1-2,4-5,7-8,12-13H2,(H,23,24)(H,25,26)(H,27,28);8-9H,2-7,10H2,1H3,(H,15,16);4-5,8-10H,2-3,6-7H2,1H3;7-8H,1-6,9H2,(H,14,15)(H,16,17);3-5,7,9H,2,6,11H2,1H3;3-6H2,1-2H3;2-5H2,1H3,(H,9,10);1-4H,(H2,7,8);1H4;2*1H/t20-;18-;;;;9-;;;;;;/m00...0....../s1
InChIKeyRRTBKUSNHHLKNQ-JOHLRWBCSA-N
MW2227.59 g/mol
LogP18.84
Rot. Bonds49

About 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride

2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride (PubChem CID 157437435) has the molecular formula C117H162Cl2N18O21 and a molecular weight of 2227.59 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride
PubChem CID157437435
Molecular FormulaC117H162Cl2N18O21
Molecular Weight2227.59 g/mol
Exact Mass2225.15
IUPAC Name2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride
SMILESC.CC(=O)CCCCC(=O)O.CCOC(=O)C[C@H](N)c1cccnc1.CCOC(=O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccnc1.COC(=O)CCCCC(C)=O.COC(=O)CCCCc1ccc2c(n1)NCCC2.COC(=O)CCCCc1ccc2cccnc2n1.Cl.Cl.Nc1ncccc1C=O.O=C(O)CCCCc1ccc2c(n1)NCCC2.O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccnc1
InChIInChI=1S/C23H30N4O3.C21H26N4O3.C14H20N2O2.C14H16N2O2.C13H18N2O2.C10H14N2O2.C8H14O3.C7H12O3.C6H6N2O.CH4.2ClH/c1-2-30-22(29)15-20(18-8-5-13-24-16-18)27-21(28)10-4-3-9-19-12-11-17-7-6-14-25-23(17)26-19;26-19(25-18(13-20(27)28)16-6-3-11-22-14-16)8-2-1-7-17-10-9-15-5-4-12-23-21(15)24-17;2*1-18-13(17)7-3-2-6-12-9-8-11-5-4-10-15-14(11)16-12;16-12(17)6-2-1-5-11-8-7-10-4-3-9-14-13(10)15-11;1-2-14-10(13)6-9(11)8-4-3-5-12-7-8;1-7(9)5-3-4-6-8(10)11-2;1-6(8)4-2-3-5-7(9)10;7-6-5(4-9)2-1-3-8-6;;;/h5,8,11-13,16,20H,2-4,6-7,9-10,14-15H2,1H3,(H,25,26)(H,27,28);3,6,9-11,14,18H,1-2,4-5,7-8,12-13H2,(H,23,24)(H,25,26)(H,27,28);8-9H,2-7,10H2,1H3,(H,15,16);4-5,8-10H,2-3,6-7H2,1H3;7-8H,1-6,9H2,(H,14,15)(H,16,17);3-5,7,9H,2,6,11H2,1H3;3-6H2,1-2H3;2-5H2,1H3,(H,9,10);1-4H,(H2,7,8);1H4;2*1H/t20-;18-;;;;9-;;;;;;/m00...0....../s1
InChIKeyRRTBKUSNHHLKNQ-JOHLRWBCSA-N
XLogP18.84
TPSA581.87 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds49
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002227.59
LogP ≤ 518.84
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride with MolForge

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Related Compounds

Sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide
CID 159281555
2-(4-((7-Methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl)amino)phenyl)acetic acid
CID 49660507
6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid
CID 87191741
2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride
CID 157068497
(7S)-7-amino-20-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-8-one;6-[(7S)-7-amino-8-oxo-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-20-yl]-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;(7S)-7-amino-20-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-8-one;19-pyridin-2-yl-2,15,17,20-tetrazabicyclo[14.3.1]icosa-1(20),16,18-trien-7-ol
CID 157164872
magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride
CID 157205621
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 157296202
Ethyl 2-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-2-oxoacetate;methane;1-pyridin-2-ylethanone;2-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid
CID 157302862
2-aminopyridine-3-carbaldehyde;azane;tert-butyl N-[1-[2-(3-formyl-2-pyridinyl)acetyl]cyclopropyl]carbamate;tert-butyl N-(1-pyrido[2,3-d]pyrimidin-2-ylcyclopropyl)carbamate;deuterium monohydride;ethanol;methane;N-methylmethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;2-methylpropoxycarbonyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate;1-pyrido[2,3-d]pyrimidin-2-ylcyclopropan-1-amine
CID 157630708
ethyl (3S)-3-quinolin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;(3S)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
CID 157700582
6-[(7S)-7-amino-8-oxo-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-20-yl]-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;(7S)-7-amino-20-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-8-one;tert-butyl N-[(7S)-20-(5-formyl-2-pyridinyl)-8-oxo-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-7-yl]carbamate;1,4-dimethylpiperidine;6-[(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-20-yl]pyridine-3-carboxylic acid;piperidine
CID 157766467
2-aminopyridine-3-carbaldehyde;(1S)-1-(3-fluorophenyl)propan-1-amine;1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]urea;(3S)-3-(3-fluorophenyl)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoylamino]propanoic acid;N-methoxy-N-methyl-4-(oxoboranylmethylamino)butanamide;methyl-N-[3-(1,8-naphthyridin-2-yl)propyl]boronamidic acid;methyl-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]boronamidic acid;4-(oxoboranylmethylamino)butanoic acid;5-(oxoboranylmethylamino)pentan-2-one;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydrochloride
CID 157812492

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride?
The IUPAC name of 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride (CID 157437435) is 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride.
What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride?
The canonical SMILES for 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride is C.CC(=O)CCCCC(=O)O.CCOC(=O)C[C@H](N)c1cccnc1.CCOC(=O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccnc1.COC(=O)CCCCC(C)=O.COC(=O)CCCCc1ccc2c(n1)NCCC2.COC(=O)CCCCc1ccc2cccnc2n1.Cl.Cl.Nc1ncccc1C=O.O=C(O)CCCCc1ccc2c(n1)NCCC2.O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccnc1.
What is the InChIKey of 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride?
The InChIKey is RRTBKUSNHHLKNQ-JOHLRWBCSA-N. The full InChI is InChI=1S/C23H30N4O3.C21H26N4O3.C14H20N2O2.C14H16N2O2.C13H18N2O2.C10H14N2O2.C8H14O3.C7H12O3.C6H6N2O.CH4.2ClH/c1-2-30-22(29)15-20(18-8-5-13-24-16-18)27-21(28)10-4-3-9-19-12-11-17-7-6-14-25-23(17)26-19;26-19(25-18(13-20(27)28)16-6-3-11-22-14-16)8-2-1-7-17-10-9-15-5-4-12-23-21(15)24-17;2*1-18-13(17)7-3-2-6-12-9-8-11-5-4-10-15-14(11)16-12;16-12(17)6-2-1-5-11-8-7-10-4-3-9-14-13(10)15-11;1-2-14-10(13)6-9(11)8-4-3-5-12-7-8;1-7(9)5-3-4-6-8(10)11-2;1-6(8)4-2-3-5-7(9)10;7-6-5(4-9)2-1-3-8-6;;;/h5,8,11-13,16,20H,2-4,6-7,9-10,14-15H2,1H3,(H,25,26)(H,27,28);3,6,9-11,14,18H,1-2,4-5,7-8,12-13H2,(H,23,24)(H,25,26)(H,27,28);8-9H,2-7,10H2,1H3,(H,15,16);4-5,8-10H,2-3,6-7H2,1H3;7-8H,1-6,9H2,(H,14,15)(H,16,17);3-5,7,9H,2,6,11H2,1H3;3-6H2,1-2H3;2-5H2,1H3,(H,9,10);1-4H,(H2,7,8);1H4;2*1H/t20-;18-;;;;9-;;;;;;/m00...0....../s1.
What are the key properties of 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride?
2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride has a molecular weight of 2227.59 g/mol, XLogP of 18.84, 49 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride is sourced from PubChem (CID 157437435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).