N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide

C15H19N3O — CID 82120784

IUPACN-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)C(C#N)c1ccccn1
InChIInChI=1S/C15H19N3O/c1-18(15(19)12-7-3-2-4-8-12)14(11-16)13-9-5-6-10-17-13/h5-6,9-10,12,14H,2-4,7-8H2,1H3
InChIKeyAEPGNOXBJIDFMO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.68
Rot. Bonds3

About N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide

N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide (PubChem CID 82120784) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide
PubChem CID82120784
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)C(C#N)c1ccccn1
InChIInChI=1S/C15H19N3O/c1-18(15(19)12-7-3-2-4-8-12)14(11-16)13-9-5-6-10-17-13/h5-6,9-10,12,14H,2-4,7-8H2,1H3
InChIKeyAEPGNOXBJIDFMO-UHFFFAOYSA-N
XLogP2.68
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide
CID 82113915
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
(2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile
CID 95899867
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
N-methyl-N-(1-pyridin-2-ylethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 146085172
3-(2,2-dimethylcyclopropyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 103839482
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
cyclohexyl 2-pyridin-2-ylpropanoate
CID 21278953
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide
CID 82118036
S-pyridin-2-yl cyclohexanecarbothioate
CID 12531414
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908797

Frequently Asked Questions

What is the IUPAC name of N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide (CID 82120784) is N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)C(C#N)c1ccccn1.
What is the InChIKey of N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide?
The InChIKey is AEPGNOXBJIDFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(15(19)12-7-3-2-4-8-12)14(11-16)13-9-5-6-10-17-13/h5-6,9-10,12,14H,2-4,7-8H2,1H3.
What are the key properties of N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide?
N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 82120784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).