N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid

C75H103N13O12 — CID 158154702

IUPACN-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)CCCNC(=O)c1cccnc1.C[C@H](N)C(=O)CCCNC(=O)c1cccnc1.C[C@H](NC(=O)OC(C)(C)C)C(=O)CCCNC(=O)c1cccnc1.NCCNC(=O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C32H45N3O3.C17H25N3O4.C12H17N3O2.C8H11N3O.C6H5NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31(37)35-28(2)30(36)23-21-26-34-32(38)29-22-20-25-33-27-29;1-12(20-16(23)24-17(2,3)4)14(21)8-6-10-19-15(22)13-7-5-9-18-11-13;1-9(13)11(16)5-3-7-15-12(17)10-4-2-6-14-8-10;9-3-5-11-8(12)7-2-1-4-10-6-7;8-6(9)5-2-1-3-7-4-5/h4-5,7-8,10-11,13-14,16-17,20,22,25,27-28H,3,6,9,12,15,18-19,21,23-24,26H2,1-2H3,(H,34,38)(H,35,37);5,7,9,11-12H,6,8,10H2,1-4H3,(H,19,22)(H,20,23);2,4,6,8-9H,3,5,7,13H2,1H3,(H,15,17);1-2,4,6H,3,5,9H2,(H,11,12);1-4H,(H,8,9)/b5-4-,8-7-,11-10-,14-13-,17-16-;;;;/t28-;12-;9-;;/m000../s1
InChIKeyFVNPVNLCXMCLLI-KSVARSJUSA-N
MW1378.73 g/mol
LogP9.72
Rot. Bonds37

About N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid

N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid (PubChem CID 158154702) has the molecular formula C75H103N13O12 and a molecular weight of 1378.73 g/mol. Its IUPAC name is N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid.

Molecular Properties

Compound NameN-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
PubChem CID158154702
Molecular FormulaC75H103N13O12
Molecular Weight1378.73 g/mol
Exact Mass1377.78
IUPAC NameN-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)CCCNC(=O)c1cccnc1.C[C@H](N)C(=O)CCCNC(=O)c1cccnc1.C[C@H](NC(=O)OC(C)(C)C)C(=O)CCCNC(=O)c1cccnc1.NCCNC(=O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C32H45N3O3.C17H25N3O4.C12H17N3O2.C8H11N3O.C6H5NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31(37)35-28(2)30(36)23-21-26-34-32(38)29-22-20-25-33-27-29;1-12(20-16(23)24-17(2,3)4)14(21)8-6-10-19-15(22)13-7-5-9-18-11-13;1-9(13)11(16)5-3-7-15-12(17)10-4-2-6-14-8-10;9-3-5-11-8(12)7-2-1-4-10-6-7;8-6(9)5-2-1-3-7-4-5/h4-5,7-8,10-11,13-14,16-17,20,22,25,27-28H,3,6,9,12,15,18-19,21,23-24,26H2,1-2H3,(H,34,38)(H,35,37);5,7,9,11-12H,6,8,10H2,1-4H3,(H,19,22)(H,20,23);2,4,6,8-9H,3,5,7,13H2,1H3,(H,15,17);1-2,4,6H,3,5,9H2,(H,11,12);1-4H,(H,8,9)/b5-4-,8-7-,11-10-,14-13-,17-16-;;;;/t28-;12-;9-;;/m000../s1
InChIKeyFVNPVNLCXMCLLI-KSVARSJUSA-N
XLogP9.72
TPSA388.83 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds37
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001378.73
LogP ≤ 59.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid with MolForge

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Related Compounds

Tert-butyl 4-[3-acetyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[1-(propan-2-ylamino)ethyl]-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 161979217
5-[4-(5-Carbamoyl-3-pyridinyl)-7,10-bis(5-carboxy-3-pyridinyl)-1,4,7,10-tetrazacyclododec-1-yl]pyridine-3-carboxylic acid
CID 134557597
5-[2-[Bis(5-carboxy-3-pyridinyl)amino]ethyl-[2-[2-[bis(5-carboxy-3-pyridinyl)amino]ethyl-(5-carboxy-3-pyridinyl)amino]ethyl]amino]pyridine-3-carboxylic acid
CID 148842457
5-[11-(5-Acetyl-3-pyridinyl)-4-(5-carbamoyl-3-pyridinyl)-8-(5-carboxy-3-pyridinyl)-1,4,8,11-tetrazacyclotetradec-1-yl]pyridine-3-carboxylic acid
CID 156091679
5-[2-[bis(5-carboxy-3-pyridinyl)amino]ethyl-[2-[2-[[(1E,3E)-4-carboxy-1-(methylideneamino)penta-1,3-dien-2-yl]-(5-carboxy-3-pyridinyl)amino]ethyl-(5-carboxy-3-pyridinyl)amino]ethyl]amino]pyridine-3-carboxylic acid
CID 156573060
6-[[[2-[Bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid;2-[[2-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl-(carboxymethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate;tert-butyl 2-[[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl]amino]acetate;methane
CID 157080560
6-Bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)methanone;(6-bromo-3-pyridinyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-(trideuteriomethyl)piperazin-1-yl]methanone;tert-butyl 4-(6-bromopyridine-3-carbonyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate;tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperidine-1-carboxylate;hydrochloride
CID 157105647
6-[[Bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;tert-butyl 4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 157373503
5-Methylpyridine-2-carboxylic acid;bis(5-methylpyridine-3-carboxylic acid);piperidin-4-yl 5-methylpyridine-3-carboxylate
CID 157412362
2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride
CID 157418393
N-(2-aminoethyl)-4-methylpyridine-2-carboxamide;N-(6-aminohexyl)-4-methylpyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-4-methylpyridine-2-carboxamide;N,4-dimethylpyridine-2-carboxamide;N-(2-methoxyethyl)-4-methylpyridine-2-carboxamide;4-methyl-N-[2-(methylamino)ethyl]pyridine-2-carboxamide;2-[(4-methylpyridine-2-carbonyl)amino]acetic acid;4-methylpyridine-2-carboxamide;4-methylpyridine-2-carboxylic acid
CID 157625500
Azanium;ethene;1-methylpyridin-1-ium-3-carboxamide;bis(1-methylpyridin-1-ium-3-carboxylate);pyridine-3-carboxylic acid;pyridin-1-ium-3-carboxamide;hydrate
CID 157710875

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The IUPAC name of N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid (CID 158154702) is N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid.
What is the SMILES notation for N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The canonical SMILES for N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)CCCNC(=O)c1cccnc1.C[C@H](N)C(=O)CCCNC(=O)c1cccnc1.C[C@H](NC(=O)OC(C)(C)C)C(=O)CCCNC(=O)c1cccnc1.NCCNC(=O)c1cccnc1.O=C(O)c1cccnc1.
What is the InChIKey of N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The InChIKey is FVNPVNLCXMCLLI-KSVARSJUSA-N. The full InChI is InChI=1S/C32H45N3O3.C17H25N3O4.C12H17N3O2.C8H11N3O.C6H5NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31(37)35-28(2)30(36)23-21-26-34-32(38)29-22-20-25-33-27-29;1-12(20-16(23)24-17(2,3)4)14(21)8-6-10-19-15(22)13-7-5-9-18-11-13;1-9(13)11(16)5-3-7-15-12(17)10-4-2-6-14-8-10;9-3-5-11-8(12)7-2-1-4-10-6-7;8-6(9)5-2-1-3-7-4-5/h4-5,7-8,10-11,13-14,16-17,20,22,25,27-28H,3,6,9,12,15,18-19,21,23-24,26H2,1-2H3,(H,34,38)(H,35,37);5,7,9,11-12H,6,8,10H2,1-4H3,(H,19,22)(H,20,23);2,4,6,8-9H,3,5,7,13H2,1H3,(H,15,17);1-2,4,6H,3,5,9H2,(H,11,12);1-4H,(H,8,9)/b5-4-,8-7-,11-10-,14-13-,17-16-;;;;/t28-;12-;9-;;/m000../s1.
What are the key properties of N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid has a molecular weight of 1378.73 g/mol, XLogP of 9.72, 37 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid is sourced from PubChem (CID 158154702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).