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

C12H15ClN2O — CID 115635951

IUPAC4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCC1CC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O/c13-10-5-7-14-11(8-10)12(16)15-6-1-2-9-3-4-9/h5,7-9H,1-4,6H2,(H,15,16)
InChIKeyAHBMONCAIZWQTA-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.65
Rot. Bonds5

About 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide

4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide (PubChem CID 115635951) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide
PubChem CID115635951
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCC1CC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O/c13-10-5-7-14-11(8-10)12(16)15-6-1-2-9-3-4-9/h5,7-9H,1-4,6H2,(H,15,16)
InChIKeyAHBMONCAIZWQTA-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
4-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62186873
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 103899472
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-2-carboxamide
CID 62297092
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide (CID 115635951) is 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide is O=C(NCCCC1CC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide?
The InChIKey is AHBMONCAIZWQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-10-5-7-14-11(8-10)12(16)15-6-1-2-9-3-4-9/h5,7-9H,1-4,6H2,(H,15,16).
What are the key properties of 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide?
4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 115635951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).