4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide

C15H21ClN2O — CID 81227209

IUPAC4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCC2CCCCC2C)cn1
InChIInChI=1S/C15H21ClN2O/c1-10-5-3-4-6-12(10)8-18-15(19)13-9-17-11(2)7-14(13)16/h7,9-10,12H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyCOXXLYQYDVKMIU-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide

4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 81227209) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID81227209
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCC2CCCCC2C)cn1
InChIInChI=1S/C15H21ClN2O/c1-10-5-3-4-6-12(10)8-18-15(19)13-9-17-11(2)7-14(13)16/h7,9-10,12H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyCOXXLYQYDVKMIU-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107184871
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417821
2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide
CID 107417795
4-chloro-6-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 81225864
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide
CID 81233008
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide (CID 81227209) is 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCC2CCCCC2C)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is COXXLYQYDVKMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-5-3-4-6-12(10)8-18-15(19)13-9-17-11(2)7-14(13)16/h7,9-10,12H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide?
4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81227209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).