N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide

C14H14ClN3O2 — CID 60630528

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)12-5-4-10(15)7-11(12)17-14(20)9-3-6-13(19)16-8-9/h3-8H,1-2H3,(H,16,19)(H,17,20)
InChIKeyLOBGCCSKAQTQOX-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.35
Rot. Bonds3

About N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 60630528) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID60630528
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)12-5-4-10(15)7-11(12)17-14(20)9-3-6-13(19)16-8-9/h3-8H,1-2H3,(H,16,19)(H,17,20)
InChIKeyLOBGCCSKAQTQOX-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

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Related Compounds

4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
N-(5-chloro-2-ethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47267865
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide
CID 55369232
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60709422
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide
CID 55337128

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 60630528) is N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide is CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LOBGCCSKAQTQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-18(2)12-5-4-10(15)7-11(12)17-14(20)9-3-6-13(19)16-8-9/h3-8H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[5-chloro-2-(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 N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60630528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).