ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate

C98H129N11O14 — CID 158136565

IUPACethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(CNc2cc(C(=O)OCC)ccc2NC2CCCCC2)cc1.CCOC(=O)c1cnc(CC2CCCCC2)c(N)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccccc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccncc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C25H32N2O4.C22H28N2O2.C21H27N3O2.C15H20N2O4.C15H22N2O2/c1-3-30-24(28)19-12-10-18(11-13-19)17-26-23-16-20(25(29)31-4-2)14-15-22(23)27-21-8-6-5-7-9-21;1-2-26-22(25)19-14-21(23-15-18-11-7-4-8-12-18)20(24-16-19)13-17-9-5-3-6-10-17;1-2-26-21(25)18-13-20(23-14-17-8-10-22-11-9-17)19(24-15-18)12-16-6-4-3-5-7-16;1-2-21-15(18)12-9-14(17(19)20)13(16-10-12)8-11-6-4-3-5-7-11;1-2-19-15(18)12-9-13(16)14(17-10-12)8-11-6-4-3-5-7-11/h10-16,21,26-27H,3-9,17H2,1-2H3;4,7-8,11-12,14,16-17,23H,2-3,5-6,9-10,13,15H2,1H3;8-11,13,15-16,23H,2-7,12,14H2,1H3;9-11H,2-8H2,1H3;9-11H,2-8,16H2,1H3
InChIKeyFTKNGRSIRXPZRL-UHFFFAOYSA-N
MW1685.17 g/mol
LogP21.03
Rot. Bonds32

About ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate

ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate (PubChem CID 158136565) has the molecular formula C98H129N11O14 and a molecular weight of 1685.17 g/mol. Its IUPAC name is ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate
PubChem CID158136565
Molecular FormulaC98H129N11O14
Molecular Weight1685.17 g/mol
Exact Mass1683.97
IUPAC Nameethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(CNc2cc(C(=O)OCC)ccc2NC2CCCCC2)cc1.CCOC(=O)c1cnc(CC2CCCCC2)c(N)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccccc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccncc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C25H32N2O4.C22H28N2O2.C21H27N3O2.C15H20N2O4.C15H22N2O2/c1-3-30-24(28)19-12-10-18(11-13-19)17-26-23-16-20(25(29)31-4-2)14-15-22(23)27-21-8-6-5-7-9-21;1-2-26-22(25)19-14-21(23-15-18-11-7-4-8-12-18)20(24-16-19)13-17-9-5-3-6-10-17;1-2-26-21(25)18-13-20(23-14-17-8-10-22-11-9-17)19(24-15-18)12-16-6-4-3-5-7-16;1-2-21-15(18)12-9-14(17(19)20)13(16-10-12)8-11-6-4-3-5-7-11;1-2-19-15(18)12-9-13(16)14(17-10-12)8-11-6-4-3-5-7-11/h10-16,21,26-27H,3-9,17H2,1-2H3;4,7-8,11-12,14,16-17,23H,2-3,5-6,9-10,13,15H2,1H3;8-11,13,15-16,23H,2-7,12,14H2,1H3;9-11H,2-8H2,1H3;9-11H,2-8,16H2,1H3
InChIKeyFTKNGRSIRXPZRL-UHFFFAOYSA-N
XLogP21.03
TPSA339.53 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001685.17
LogP ≤ 521.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl 2-[5-[3-[[[2-[3,5-bis[2-[[[3-[6-(3-ethoxycarbonyl-2-pyridinyl)pyridine-3-carbonyl]phenyl]methylamino]methyl]phenyl]phenyl]phenyl]methylamino]methyl]benzoyl]-2-pyridinyl]pyridine-3-carboxylate
CID 88227881
Ethyl 5-[3-[[3,5-bis[[3-(5-ethoxycarbonyl-6-pyridin-2-ylpyridine-3-carbonyl)phenyl]methylamino]-2-methyl-4-phenylanilino]methyl]benzoyl]-2-pyridin-2-ylpyridine-3-carboxylate
CID 88298116
ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one
CID 158004645
Ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 4-(cyclohexylamino)-3-[(4-methoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate
CID 158069082
Ethyl 3-(benzylamino)-4-[(4-tert-butylcyclohexyl)amino]benzoate;ethyl 4-[(4-tert-butylcyclohexyl)amino]-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(cyclohexylamino)-3-(naphthalen-2-ylmethylamino)benzoate;ethyl 4-(cyclohexylamino)-3-(pyridin-2-ylmethylamino)benzoate;ethyl 4-(cyclohexylamino)-3-(pyridin-3-ylmethylamino)benzoate;ethyl 4-(cyclohexylamino)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)phenyl]methylamino]benzoate
CID 158440770
Ethyl 4-(1-adamantylmethyl)-3-aminobenzoate;ethyl 4-(1-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(1-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate
CID 158749059
Ethyl 4-(1-adamantylmethyl)-3-aminobenzoate;ethyl 4-(1-adamantylmethyl)-3-nitrobenzoate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate
CID 158979946
Ethyl 6-chloro-5-nitropyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 4-(cyclohexylamino)-3-[(4-methoxycarbonylphenyl)methylamino]benzoate;ethyl 4-(cyclohexylamino)-3-[[4-(2-methoxy-2-oxoethyl)phenyl]methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate
CID 159036262
N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane
CID 159054069
Bis(ethyl 4-(1-adamantylmethyl)-3-aminobenzoate);ethyl 4-(1-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(1-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate
CID 159115692
Ethyl 4-(1-adamantylmethyl)-3-aminobenzoate;ethyl 4-(1-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 4-(cyclohexylamino)-3-[(4-methoxycarbonylphenyl)methylamino]benzoate
CID 159271082
lithium;tris(carbon dioxide);bis(2-ethylpiperidine);methyl 4-fluoro-3-nitrobenzoate;methyl 4-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-3-nitrobenzoate;methyl 6-oxo-7,7a,8,9,10,11-hexahydro-5H-pyrido[1,2-a][1,5]benzodiazepine-3-carboxylate;6-oxo-7,7a,8,9,10,11-hexahydro-5H-pyrido[1,2-a][1,5]benzodiazepine-3-carboxylic acid;2-propylpyridine;hydroxide
CID 159412401

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate (CID 158136565) is ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(CNc2cc(C(=O)OCC)ccc2NC2CCCCC2)cc1.CCOC(=O)c1cnc(CC2CCCCC2)c(N)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccccc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccncc2)c1.CCOC(=O)c1cnc(CC2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate?
The InChIKey is FTKNGRSIRXPZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4.C22H28N2O2.C21H27N3O2.C15H20N2O4.C15H22N2O2/c1-3-30-24(28)19-12-10-18(11-13-19)17-26-23-16-20(25(29)31-4-2)14-15-22(23)27-21-8-6-5-7-9-21;1-2-26-22(25)19-14-21(23-15-18-11-7-4-8-12-18)20(24-16-19)13-17-9-5-3-6-10-17;1-2-26-21(25)18-13-20(23-14-17-8-10-22-11-9-17)19(24-15-18)12-16-6-4-3-5-7-16;1-2-21-15(18)12-9-14(17(19)20)13(16-10-12)8-11-6-4-3-5-7-11;1-2-19-15(18)12-9-13(16)14(17-10-12)8-11-6-4-3-5-7-11/h10-16,21,26-27H,3-9,17H2,1-2H3;4,7-8,11-12,14,16-17,23H,2-3,5-6,9-10,13,15H2,1H3;8-11,13,15-16,23H,2-7,12,14H2,1H3;9-11H,2-8H2,1H3;9-11H,2-8,16H2,1H3.
What are the key properties of ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate?
ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate has a molecular weight of 1685.17 g/mol, XLogP of 21.03, 32 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 158136565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).