N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C13H12ClN3O2 — CID 56801418

IUPACN-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)nc2)c(=O)[nH]1
InChIInChI=1S/C13H12ClN3O2/c1-7-5-8(2)16-12(18)11(7)13(19)17-9-3-4-10(14)15-6-9/h3-6H,1-2H3,(H,16,18)(H,17,19)
InChIKeyOZHYVOFUQURQCA-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.29
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56801418) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56801418
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)nc2)c(=O)[nH]1
InChIInChI=1S/C13H12ClN3O2/c1-7-5-8(2)16-12(18)11(7)13(19)17-9-3-4-10(14)15-6-9/h3-6H,1-2H3,(H,16,18)(H,17,19)
InChIKeyOZHYVOFUQURQCA-UHFFFAOYSA-N
XLogP2.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61017722
4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide
CID 23592282
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262078
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357351
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide
CID 78929856
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 56801418) is N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)Nc2ccc(Cl)nc2)c(=O)[nH]1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OZHYVOFUQURQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-7-5-8(2)16-12(18)11(7)13(19)17-9-3-4-10(14)15-6-9/h3-6H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56801418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).