1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C20H27N5O2 — CID 42099205

IUPAC1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(C2CCCCC2)nn1)N(Cc1ccccn1)C[C@@H]1CCCO1
InChIInChI=1S/C20H27N5O2/c26-20(19-15-25(23-22-19)17-8-2-1-3-9-17)24(14-18-10-6-12-27-18)13-16-7-4-5-11-21-16/h4-5,7,11,15,17-18H,1-3,6,8-10,12-14H2/t18-/m0/s1
InChIKeyPFWDZZFYGSWPRI-SFHVURJKSA-N
MW369.47 g/mol
LogP3.00
Rot. Bonds6

About 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 42099205) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID42099205
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(C2CCCCC2)nn1)N(Cc1ccccn1)C[C@@H]1CCCO1
InChIInChI=1S/C20H27N5O2/c26-20(19-15-25(23-22-19)17-8-2-1-3-9-17)24(14-18-10-6-12-27-18)13-16-7-4-5-11-21-16/h4-5,7,11,15,17-18H,1-3,6,8-10,12-14H2/t18-/m0/s1
InChIKeyPFWDZZFYGSWPRI-SFHVURJKSA-N
XLogP3.00
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
6-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;hydrochloride
CID 171672342
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119759142
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551
5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543
3-[(2-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121499245
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 92614370

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 42099205) is 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is O=C(c1cn(C2CCCCC2)nn1)N(Cc1ccccn1)C[C@@H]1CCCO1.
What is the InChIKey of 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is PFWDZZFYGSWPRI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20(19-15-25(23-22-19)17-8-2-1-3-9-17)24(14-18-10-6-12-27-18)13-16-7-4-5-11-21-16/h4-5,7,11,15,17-18H,1-3,6,8-10,12-14H2/t18-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 42099205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).