2-chloro-N-propylpyridine-3-carboxamide

C9H11ClN2O — CID 4286757

IUPAC2-chloro-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O/c1-2-5-12-9(13)7-4-3-6-11-8(7)10/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyUPOCZVXEQZKZKE-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.87
Rot. Bonds3

About 2-chloro-N-propylpyridine-3-carboxamide

2-chloro-N-propylpyridine-3-carboxamide (PubChem CID 4286757) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-propylpyridine-3-carboxamide
PubChem CID4286757
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O/c1-2-5-12-9(13)7-4-3-6-11-8(7)10/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyUPOCZVXEQZKZKE-UHFFFAOYSA-N
XLogP1.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 55090733
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-propylpyridine-3-carboxamide (CID 4286757) is 2-chloro-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-propylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-propylpyridine-3-carboxamide?
The InChIKey is UPOCZVXEQZKZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-2-5-12-9(13)7-4-3-6-11-8(7)10/h3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-propylpyridine-3-carboxamide?
2-chloro-N-propylpyridine-3-carboxamide has a molecular weight of 198.65 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 4286757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).