4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide

C14H19ClN2O — CID 54983100

IUPAC4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
SMILESCC1CCCCC1CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H19ClN2O/c1-10-4-2-3-5-11(10)9-17-14(18)13-8-12(15)6-7-16-13/h6-8,10-11H,2-5,9H2,1H3,(H,17,18)
InChIKeyIPFLRXMMEJRAPZ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.29
Rot. Bonds3

About 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide

4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide (PubChem CID 54983100) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
PubChem CID54983100
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
SMILESCC1CCCCC1CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H19ClN2O/c1-10-4-2-3-5-11(10)9-17-14(18)13-8-12(15)6-7-16-13/h6-8,10-11H,2-5,9H2,1H3,(H,17,18)
InChIKeyIPFLRXMMEJRAPZ-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
5-(ethylamino)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 104640456
6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107417789
5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107418817
5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
CID 63500607
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 81227209
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyridazine-3-carboxamide
CID 55052556

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide (CID 54983100) is 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide is CC1CCCCC1CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The InChIKey is IPFLRXMMEJRAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-4-2-3-5-11(10)9-17-14(18)13-8-12(15)6-7-16-13/h6-8,10-11H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide?
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 54983100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).