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2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

C19H23N3O3 — CID 122150470

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(=O)[nH]c1C
InChIInChI=1S/C19H23N3O3/c1-11(2)10-20-18(24)14-5-7-16(12(3)9-14)22-19(25)15-6-8-17(23)21-13(15)4/h5-9,11H,10H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyJNWHRZIQXOXETL-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.63
Rot. Bonds5

About 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 122150470) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID122150470
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(=O)[nH]c1C
InChIInChI=1S/C19H23N3O3/c1-11(2)10-20-18(24)14-5-7-16(12(3)9-14)22-19(25)15-6-8-17(23)21-13(15)4/h5-9,11H,10H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyJNWHRZIQXOXETL-UHFFFAOYSA-N
XLogP2.63
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 122150470) is 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(=O)[nH]c1C.
What is the InChIKey of 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JNWHRZIQXOXETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11(2)10-20-18(24)14-5-7-16(12(3)9-14)22-19(25)15-6-8-17(23)21-13(15)4/h5-9,11H,10H2,1-4H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 122150470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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