N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C25H27N3O3 — CID 4284926

IUPACN-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C25H27N3O3/c1-16(2)18-9-12-21(13-10-18)27-24(30)23(19-7-5-17(3)6-8-19)28(4)25(31)20-11-14-22(29)26-15-20/h5-16,23H,1-4H3,(H,26,29)(H,27,30)
InChIKeyBYODCGUHJXAXKO-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.26
Rot. Bonds6

About N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 4284926) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID4284926
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C25H27N3O3/c1-16(2)18-9-12-21(13-10-18)27-24(30)23(19-7-5-17(3)6-8-19)28(4)25(31)20-11-14-22(29)26-15-20/h5-16,23H,1-4H3,(H,26,29)(H,27,30)
InChIKeyBYODCGUHJXAXKO-UHFFFAOYSA-N
XLogP4.26
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 4284926) is N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BYODCGUHJXAXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16(2)18-9-12-21(13-10-18)27-24(30)23(19-7-5-17(3)6-8-19)28(4)25(31)20-11-14-22(29)26-15-20/h5-16,23H,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4284926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).