N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide

C17H22N6O3 — CID 162637213

IUPACN-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCc2cccnc2)CC[C@H]1NC(=O)c1cn[nH]n1
InChIInChI=1S/C17H22N6O3/c1-26-15-7-12(16(24)19-9-11-3-2-6-18-8-11)4-5-13(15)21-17(25)14-10-20-23-22-14/h2-3,6,8,10,12-13,15H,4-5,7,9H2,1H3,(H,19,24)(H,21,25)(H,20,22,23)/t12-,13+,15+/m0/s1
InChIKeyHLXGPTIIIDBKKS-GZBFAFLISA-N
MW358.40 g/mol
LogP0.43
Rot. Bonds6

About N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide

N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide (PubChem CID 162637213) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide
PubChem CID162637213
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCc2cccnc2)CC[C@H]1NC(=O)c1cn[nH]n1
InChIInChI=1S/C17H22N6O3/c1-26-15-7-12(16(24)19-9-11-3-2-6-18-8-11)4-5-13(15)21-17(25)14-10-20-23-22-14/h2-3,6,8,10,12-13,15H,4-5,7,9H2,1H3,(H,19,24)(H,21,25)(H,20,22,23)/t12-,13+,15+/m0/s1
InChIKeyHLXGPTIIIDBKKS-GZBFAFLISA-N
XLogP0.43
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide with MolForge

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Related Compounds

2-fluoro-N-[(1R,2R,4S)-2-methoxy-4-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]benzamide
CID 155500637
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 135095882
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
formic acid;N-[(1S,2S,4S)-2-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)cyclohexyl]-2-pyridin-3-ylacetamide
CID 154923669
N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 162632393
(1S,3R,4R)-4-(benzylcarbamoylamino)-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 162626449
N-[(1R,2R,5S)-2-methoxy-5-[(3-methoxyphenyl)methylcarbamoyl]cyclohexyl]-1H-pyrrole-3-carboxamide
CID 155918740
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46041524

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide (CID 162637213) is N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide is CO[C@@H]1C[C@@H](C(=O)NCc2cccnc2)CC[C@H]1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide?
The InChIKey is HLXGPTIIIDBKKS-GZBFAFLISA-N. The full InChI is InChI=1S/C17H22N6O3/c1-26-15-7-12(16(24)19-9-11-3-2-6-18-8-11)4-5-13(15)21-17(25)14-10-20-23-22-14/h2-3,6,8,10,12-13,15H,4-5,7,9H2,1H3,(H,19,24)(H,21,25)(H,20,22,23)/t12-,13+,15+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide?
N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 162637213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).