N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

C22H23N3O3 — CID 172670938

IUPACN-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)ccn(CCc3ccccc3)c2=O)c(=O)[nH]c1C
InChIInChI=1S/C22H23N3O3/c1-14-9-11-25(12-10-17-7-5-4-6-8-17)22(28)19(14)21(27)24-18-13-15(2)16(3)23-20(18)26/h4-9,11,13H,10,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyINDKZSZPHKJIGE-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.96
Rot. Bonds5

About N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 172670938) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID172670938
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)ccn(CCc3ccccc3)c2=O)c(=O)[nH]c1C
InChIInChI=1S/C22H23N3O3/c1-14-9-11-25(12-10-17-7-5-4-6-8-17)22(28)19(14)21(27)24-18-13-15(2)16(3)23-20(18)26/h4-9,11,13H,10,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyINDKZSZPHKJIGE-UHFFFAOYSA-N
XLogP2.96
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (CID 172670938) is N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2c(C)ccn(CCc3ccccc3)c2=O)c(=O)[nH]c1C.
What is the InChIKey of N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is INDKZSZPHKJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-9-11-25(12-10-17-7-5-4-6-8-17)22(28)19(14)21(27)24-18-13-15(2)16(3)23-20(18)26/h4-9,11,13H,10,12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172670938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).