3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide

C14H19ClN2O — CID 103714800

IUPAC3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCC1CCCC1)c1ccncc1Cl
InChIInChI=1S/C14H19ClN2O/c15-13-10-16-9-7-12(13)14(18)17-8-3-6-11-4-1-2-5-11/h7,9-11H,1-6,8H2,(H,17,18)
InChIKeyLADSFQDSOCJMEP-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.44
Rot. Bonds5

About 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide

3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide (PubChem CID 103714800) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
PubChem CID103714800
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCC1CCCC1)c1ccncc1Cl
InChIInChI=1S/C14H19ClN2O/c15-13-10-16-9-7-12(13)14(18)17-8-3-6-11-4-1-2-5-11/h7,9-11H,1-6,8H2,(H,17,18)
InChIKeyLADSFQDSOCJMEP-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.44
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

3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 111499093
2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide
CID 38335877
N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 66484559

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide (CID 103714800) is 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide is O=C(NCCCC1CCCC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide?
The InChIKey is LADSFQDSOCJMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-10-16-9-7-12(13)14(18)17-8-3-6-11-4-1-2-5-11/h7,9-11H,1-6,8H2,(H,17,18).
What are the key properties of 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide?
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103714800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).