6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide

C13H19ClN2O — CID 79003057

IUPAC6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCC(C)CCCCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H19ClN2O/c1-10(2)5-3-4-8-15-13(17)11-6-7-12(14)16-9-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyZMSHOUZYBBVCTQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.29
Rot. Bonds6

About 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide

6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide (PubChem CID 79003057) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
PubChem CID79003057
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCC(C)CCCCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H19ClN2O/c1-10(2)5-3-4-8-15-13(17)11-6-7-12(14)16-9-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyZMSHOUZYBBVCTQ-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)-6-propan-2-ylpyridine-3-carboxamide
CID 158554805
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287874
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
5-carbamothioyl-N-(7-methyloctyl)pyridine-2-carboxamide
CID 107815227
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide (CID 79003057) is 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide is CC(C)CCCCNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide?
The InChIKey is ZMSHOUZYBBVCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(2)5-3-4-8-15-13(17)11-6-7-12(14)16-9-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide?
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide has a molecular weight of 254.76 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 79003057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).