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

C19H23N3O3 — CID 122150470

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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Related Compounds

N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 75434274
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119310067
3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 122159202
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49397345
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119760388
(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120628608
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119310041
N-[(2R)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266886

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).