N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate

C96H90N22O10 — CID 157298165

IUPACN-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.COC(=O)c1ncccc1NC(=O)c1ccc(Cn2nccn2)c2ccccc12.O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1ccc(Cn2nccn2)c2ccccc12
InChIInChI=1S/2C27H28N6O2.2C21H17N5O3/c34-26(23-13-12-20(18-33-16-15-30-32-33)21-9-4-5-10-22(21)23)31-24-11-6-14-28-25(24)27(35)29-17-19-7-2-1-3-8-19;34-26(23-13-12-20(18-33-30-15-16-31-33)21-9-4-5-10-22(21)23)32-24-11-6-14-28-25(24)27(35)29-17-19-7-2-1-3-8-19;1-29-21(28)19-18(7-4-10-22-19)24-20(27)17-9-8-14(13-26-12-11-23-25-26)15-5-2-3-6-16(15)17;1-29-21(28)19-18(7-4-10-22-19)25-20(27)17-9-8-14(13-26-23-11-12-24-26)15-5-2-3-6-16(15)17/h4-6,9-16,19H,1-3,7-8,17-18H2,(H,29,35)(H,31,34);4-6,9-16,19H,1-3,7-8,17-18H2,(H,29,35)(H,32,34);2-12H,13H2,1H3,(H,24,27);2-12H,13H2,1H3,(H,25,27)
InChIKeyBBOUFHBDIPATFX-UHFFFAOYSA-N
MW1711.92 g/mol
LogP14.70
Rot. Bonds24

About N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate

N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 157298165) has the molecular formula C96H90N22O10 and a molecular weight of 1711.92 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
PubChem CID157298165
Molecular FormulaC96H90N22O10
Molecular Weight1711.92 g/mol
Exact Mass1710.72
IUPAC NameN-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.COC(=O)c1ncccc1NC(=O)c1ccc(Cn2nccn2)c2ccccc12.O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1ccc(Cn2nccn2)c2ccccc12
InChIInChI=1S/2C27H28N6O2.2C21H17N5O3/c34-26(23-13-12-20(18-33-16-15-30-32-33)21-9-4-5-10-22(21)23)31-24-11-6-14-28-25(24)27(35)29-17-19-7-2-1-3-8-19;34-26(23-13-12-20(18-33-30-15-16-31-33)21-9-4-5-10-22(21)23)32-24-11-6-14-28-25(24)27(35)29-17-19-7-2-1-3-8-19;1-29-21(28)19-18(7-4-10-22-19)24-20(27)17-9-8-14(13-26-12-11-23-25-26)15-5-2-3-6-16(15)17;1-29-21(28)19-18(7-4-10-22-19)25-20(27)17-9-8-14(13-26-23-11-12-24-26)15-5-2-3-6-16(15)17/h4-6,9-16,19H,1-3,7-8,17-18H2,(H,29,35)(H,31,34);4-6,9-16,19H,1-3,7-8,17-18H2,(H,29,35)(H,32,34);2-12H,13H2,1H3,(H,24,27);2-12H,13H2,1H3,(H,25,27)
InChIKeyBBOUFHBDIPATFX-UHFFFAOYSA-N
XLogP14.70
TPSA401.60 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001711.92
LogP ≤ 514.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 3-[(4-{[5-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-naphthoyl)amino]pyridine-2-carboxylate
CID 16738199
methyl 3-[(4-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-naphthoyl)amino]pyridine-2-carboxylate
CID 16738200
Methyl 3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1-naphthoyl]amino}pyridine-2-carboxylate
CID 58973318
Methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
CID 58973342
4-[5-[5-[4-[3-Methyl-4-[2-[7-(4-pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]phenyl]-2-[7-(4-pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]-2-pyridinyl]-2-[7-(4-pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzoic acid
CID 123915839
3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one
CID 157118280
N-(2-methoxyethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
CID 157281920
N-benzyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;2-[6-(2-ethylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]aniline;2-[3-methyl-6-(2-propan-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 157304261
Dilithium;4-[[3-[[3-[5-(aminomethyl)-3-pyridinyl]-6-oxopyridazin-1-yl]methyl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methane;methyl 4-[[3-[[3-[5-(aminomethyl)-3-pyridinyl]-6-oxopyridazin-1-yl]methyl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;17-methyl-6,14,17,18,21,25,29-heptazapentacyclo[21.3.1.12,6.18,12.015,19]nonacosa-1(26),2(29),3,8(28),9,11,15,18,23(27),24-decaene-5,13,20-trione;2-methyloxolane;hydroxide
CID 157388104
N-(3-ethoxypropyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
CID 157487908
N-(3-methylcyclohexyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide;2-naphthalen-1-ylpyrido[3,2-d][1,3]oxazin-4-one
CID 157578038
2-benzylpyridine;1-benzyltriazole;bis(methyl 2-iodobenzoate);methyl 2-[3-(2-methoxycarbonylphenyl)-5-(pyridin-2-ylmethyl)phenyl]benzoate;methyl 2-[3-(2-methoxycarbonylphenyl)-5-(triazol-1-ylmethyl)phenyl]benzoate;methyl 2-[3-(pyridin-2-ylmethyl)phenyl]benzoate;methyl 2-[3-(triazol-1-ylmethyl)phenyl]benzoate;bis(N-(2-oxo-1H-pyridin-3-yl)acetamide)
CID 157612628

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate (CID 157298165) is N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.COC(=O)c1ncccc1NC(=O)c1ccc(Cn2nccn2)c2ccccc12.O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1ccc(Cn2nccn2)c2ccccc12.
What is the InChIKey of N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is BBOUFHBDIPATFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H28N6O2.2C21H17N5O3/c34-26(23-13-12-20(18-33-16-15-30-32-33)21-9-4-5-10-22(21)23)31-24-11-6-14-28-25(24)27(35)29-17-19-7-2-1-3-8-19;34-26(23-13-12-20(18-33-30-15-16-31-33)21-9-4-5-10-22(21)23)32-24-11-6-14-28-25(24)27(35)29-17-19-7-2-1-3-8-19;1-29-21(28)19-18(7-4-10-22-19)24-20(27)17-9-8-14(13-26-12-11-23-25-26)15-5-2-3-6-16(15)17;1-29-21(28)19-18(7-4-10-22-19)25-20(27)17-9-8-14(13-26-23-11-12-24-26)15-5-2-3-6-16(15)17/h4-6,9-16,19H,1-3,7-8,17-18H2,(H,29,35)(H,31,34);4-6,9-16,19H,1-3,7-8,17-18H2,(H,29,35)(H,32,34);2-12H,13H2,1H3,(H,24,27);2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate?
N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 1711.92 g/mol, XLogP of 14.70, 24 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate;methyl 3-[[4-(triazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 157298165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).