6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide

C12H15ClN2O — CID 115591200

IUPAC6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(Cl)nc1)C1CC1
InChIInChI=1S/C12H15ClN2O/c1-8(9-2-3-9)6-15-12(16)10-4-5-11(13)14-7-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)
InChIKeyHKXVORPLEHSKHK-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.51
Rot. Bonds4

About 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide

6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide (PubChem CID 115591200) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
PubChem CID115591200
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(Cl)nc1)C1CC1
InChIInChI=1S/C12H15ClN2O/c1-8(9-2-3-9)6-15-12(16)10-4-5-11(13)14-7-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)
InChIKeyHKXVORPLEHSKHK-UHFFFAOYSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
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

6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
CID 63295326
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
CID 102852082
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
6-chloro-N-(2-cyclopropylpropyl)pyridine-2-carboxamide
CID 115599506
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
N-(2-cyclopropylpropyl)-5-hydroxypyridine-3-carboxamide
CID 115622011
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide
CID 115868875
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide (CID 115591200) is 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide is CC(CNC(=O)c1ccc(Cl)nc1)C1CC1.
What is the InChIKey of 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide?
The InChIKey is HKXVORPLEHSKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8(9-2-3-9)6-15-12(16)10-4-5-11(13)14-7-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide?
6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 115591200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).