6-chloro-N-propan-2-ylpyridine-2-carboxamide

C9H11ClN2O — CID 24903389

IUPAC6-chloro-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C9H11ClN2O/c1-6(2)11-9(13)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,11,13)
InChIKeyVTPROFCDBQZIHA-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.87
Rot. Bonds2

About 6-chloro-N-propan-2-ylpyridine-2-carboxamide

6-chloro-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 24903389) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 6-chloro-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-propan-2-ylpyridine-2-carboxamide
PubChem CID24903389
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name6-chloro-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C9H11ClN2O/c1-6(2)11-9(13)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,11,13)
InChIKeyVTPROFCDBQZIHA-UHFFFAOYSA-N
XLogP1.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.87
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

6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
6-chloro-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 115410299
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62234351
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
6-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 62233322
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 84580916
6-chloro-N-[(3R)-4-oxohexan-3-yl]pyridine-2-carboxamide
CID 129388932
6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64570115
6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide
CID 62233452
6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 115902016

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-propan-2-ylpyridine-2-carboxamide (CID 24903389) is 6-chloro-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is VTPROFCDBQZIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6(2)11-9(13)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,11,13).
What are the key properties of 6-chloro-N-propan-2-ylpyridine-2-carboxamide?
6-chloro-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 198.65 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 24903389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).