4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide

C15H21ClN2O — CID 81233008

IUPAC4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2CCC(C)C(C)C2)cn1
InChIInChI=1S/C15H21ClN2O/c1-9-4-5-12(6-10(9)2)18-15(19)13-8-17-11(3)7-14(13)16/h7-10,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyIXJNVZRYNKOROW-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide (PubChem CID 81233008) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide
PubChem CID81233008
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2CCC(C)C(C)C2)cn1
InChIInChI=1S/C15H21ClN2O/c1-9-4-5-12(6-10(9)2)18-15(19)13-8-17-11(3)7-14(13)16/h7-10,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyIXJNVZRYNKOROW-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-6-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 81225864
4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide
CID 115885297
4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 159995696
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81232589
4-chloro-N-(2-ethylcyclopropyl)-6-methylpyridine-3-carboxamide
CID 103893978
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81226364
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
4-(ethylamino)-6-methyl-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540554
4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 81227209
4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide
CID 81226462
5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64743706

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide (CID 81233008) is 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC2CCC(C)C(C)C2)cn1.
What is the InChIKey of 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide?
The InChIKey is IXJNVZRYNKOROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-9-4-5-12(6-10(9)2)18-15(19)13-8-17-11(3)7-14(13)16/h7-10,12H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81233008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).