5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide

C14H14ClN3O2 — CID 23795092

IUPAC5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)11-5-3-10(4-6-11)17-13(19)9-7-12(15)14(20)16-8-9/h3-8H,1-2H3,(H,16,20)(H,17,19)
InChIKeyOSIBXVLKFUNIJR-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.35
Rot. Bonds3

About 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 23795092) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID23795092
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)11-5-3-10(4-6-11)17-13(19)9-7-12(15)14(20)16-8-9/h3-8H,1-2H3,(H,16,20)(H,17,19)
InChIKeyOSIBXVLKFUNIJR-UHFFFAOYSA-N
XLogP2.35
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 110861200
4-(dimethylamino)-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110743956
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47059651
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
4-chloro-N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 874387
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 113206465

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 23795092) is 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1.
What is the InChIKey of 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OSIBXVLKFUNIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-18(2)11-5-3-10(4-6-11)17-13(19)9-7-12(15)14(20)16-8-9/h3-8H,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 23795092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).