N-(cyclohexylmethyl)pyridine-3-carboxamide

C13H18N2O — CID 2990659

IUPACN-(cyclohexylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cccnc1
InChIInChI=1S/C13H18N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)
InChIKeyVFWYAQNRJZKZEN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.39
Rot. Bonds3

About N-(cyclohexylmethyl)pyridine-3-carboxamide

N-(cyclohexylmethyl)pyridine-3-carboxamide (PubChem CID 2990659) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(cyclohexylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)pyridine-3-carboxamide
PubChem CID2990659
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(cyclohexylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cccnc1
InChIInChI=1S/C13H18N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)
InChIKeyVFWYAQNRJZKZEN-UHFFFAOYSA-N
XLogP2.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotinamide
CID 936
Nialamide
CID 4472
Nicorandil
CID 47528
Flonicamid
CID 9834513
3-Acetylpyridine
CID 9589
N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
1-Methylnicotinamide
CID 457
Daporinad
CID 6914657
Nicotinohydroxamic acid
CID 71211
Nifenazone
CID 4487
Nicotinuric Acid
CID 68499

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)pyridine-3-carboxamide (CID 2990659) is N-(cyclohexylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCCC1)c1cccnc1.
What is the InChIKey of N-(cyclohexylmethyl)pyridine-3-carboxamide?
The InChIKey is VFWYAQNRJZKZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16).
What are the key properties of N-(cyclohexylmethyl)pyridine-3-carboxamide?
N-(cyclohexylmethyl)pyridine-3-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2990659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).