6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide

C14H14ClN3O2 — CID 47255260

IUPAC6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCCCn1cc(NC(=O)c2ccc(Cl)nc2)ccc1=O
InChIInChI=1S/C14H14ClN3O2/c1-2-7-18-9-11(4-6-13(18)19)17-14(20)10-3-5-12(15)16-8-10/h3-6,8-9H,2,7H2,1H3,(H,17,20)
InChIKeyWLJKMNZCROVFGL-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.56
Rot. Bonds4

About 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide

6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 47255260) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID47255260
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCCCn1cc(NC(=O)c2ccc(Cl)nc2)ccc1=O
InChIInChI=1S/C14H14ClN3O2/c1-2-7-18-9-11(4-6-13(18)19)17-14(20)10-3-5-12(15)16-8-10/h3-6,8-9H,2,7H2,1H3,(H,17,20)
InChIKeyWLJKMNZCROVFGL-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 63973346
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 103706931
1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
CID 107496780
2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 52658974
4-(dimethylamino)-3-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 51096607
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide
CID 87005498
N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
CID 146323461

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide (CID 47255260) is 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide is CCCn1cc(NC(=O)c2ccc(Cl)nc2)ccc1=O.
What is the InChIKey of 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is WLJKMNZCROVFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-7-18-9-11(4-6-13(18)19)17-14(20)10-3-5-12(15)16-8-10/h3-6,8-9H,2,7H2,1H3,(H,17,20).
What are the key properties of 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide?
6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 47255260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).