6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide

C11H15ClN2O — CID 28880213

IUPAC6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)[C@H](C)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O/c1-7(2)8(3)14-11(15)9-4-5-10(12)13-6-9/h4-8H,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeySCKKRHXIEGKDJC-QMMMGPOBSA-N
MW226.71 g/mol
LogP2.51
Rot. Bonds3

About 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide

6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide (PubChem CID 28880213) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
PubChem CID28880213
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)[C@H](C)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O/c1-7(2)8(3)14-11(15)9-4-5-10(12)13-6-9/h4-8H,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeySCKKRHXIEGKDJC-QMMMGPOBSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
CID 115664808
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
CID 88751278
6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 113406887
6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide
CID 115673226
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide (CID 28880213) is 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide is CC(C)[C@H](C)NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide?
The InChIKey is SCKKRHXIEGKDJC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7(2)8(3)14-11(15)9-4-5-10(12)13-6-9/h4-8H,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide?
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide has a molecular weight of 226.71 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 28880213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).