4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide

C13H19ClN2O — CID 81226447

IUPAC4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)C(C)NC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-5-8(2)10(4)16-13(17)11-7-15-9(3)6-12(11)14/h6-8,10H,5H2,1-4H3,(H,16,17)
InChIKeyLNJWYCTWDCVHNS-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.21
Rot. Bonds4

About 4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide (PubChem CID 81226447) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
PubChem CID81226447
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)C(C)NC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-5-8(2)10(4)16-13(17)11-7-15-9(3)6-12(11)14/h6-8,10H,5H2,1-4H3,(H,16,17)
InChIKeyLNJWYCTWDCVHNS-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693
4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 115283582
4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 82944808
4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 113461638
tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
CID 103873980
N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81229401
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81226364
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114922662
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide (CID 81226447) is 4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide is CCC(C)C(C)NC(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide?
The InChIKey is LNJWYCTWDCVHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-5-8(2)10(4)16-13(17)11-7-15-9(3)6-12(11)14/h6-8,10H,5H2,1-4H3,(H,16,17).
What are the key properties of 4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide has a molecular weight of 254.76 g/mol, XLogP of 3.21, 4 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-(3-methylpentan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81226447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).