N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide

C14H17N3O — CID 102609120

IUPACN-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)cn2)CCCCC1
InChIInChI=1S/C14H17N3O/c1-14(7-3-2-4-8-14)13(18)17-12-6-5-11(9-15)10-16-12/h5-6,10H,2-4,7-8H2,1H3,(H,16,17,18)
InChIKeyNDTUXIXYWDROAG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.86
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide

N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 102609120) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
PubChem CID102609120
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)cn2)CCCCC1
InChIInChI=1S/C14H17N3O/c1-14(7-3-2-4-8-14)13(18)17-12-6-5-11(9-15)10-16-12/h5-6,10H,2-4,7-8H2,1H3,(H,16,17,18)
InChIKeyNDTUXIXYWDROAG-UHFFFAOYSA-N
XLogP2.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 105002347
N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 62880545
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121
N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78981313
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
CID 62353732
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide (CID 102609120) is N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2ccc(C#N)cn2)CCCCC1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is NDTUXIXYWDROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(7-3-2-4-8-14)13(18)17-12-6-5-11(9-15)10-16-12/h5-6,10H,2-4,7-8H2,1H3,(H,16,17,18).
What are the key properties of N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide?
N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 102609120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).