N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C25H23N3O3 — CID 23040772

IUPACN-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(-c3ccco3)n(Cc3ccncc3)c(C)cc2=O)c1C
InChIInChI=1S/C25H23N3O3/c1-16-6-4-7-20(18(16)3)27-25(30)23-21(29)14-17(2)28(15-19-9-11-26-12-10-19)24(23)22-8-5-13-31-22/h4-14H,15H2,1-3H3,(H,27,30)
InChIKeyNIIKVTDBQDEEFI-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.73
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide

N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 23040772) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID23040772
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(-c3ccco3)n(Cc3ccncc3)c(C)cc2=O)c1C
InChIInChI=1S/C25H23N3O3/c1-16-6-4-7-20(18(16)3)27-25(30)23-21(29)14-17(2)28(15-19-9-11-26-12-10-19)24(23)22-8-5-13-31-22/h4-14H,15H2,1-3H3,(H,27,30)
InChIKeyNIIKVTDBQDEEFI-UHFFFAOYSA-N
XLogP4.73
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)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

Related Compounds

2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 23040873
1-benzyl-2-(furan-2-yl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide
CID 14252505
1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040194
2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040706
N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide
CID 23040477
N-(2,3-dimethylphenyl)-2-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-4-oxopyridine-3-carboxamide
CID 23040750
6-methyl-4-oxo-N-phenyl-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 23040319
N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040280
1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 14252502
1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
CID 23040883
6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide
CID 23040715
N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide
CID 23040529

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 23040772) is N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2c(-c3ccco3)n(Cc3ccncc3)c(C)cc2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NIIKVTDBQDEEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-6-4-7-20(18(16)3)27-25(30)23-21(29)14-17(2)28(15-19-9-11-26-12-10-19)24(23)22-8-5-13-31-22/h4-14H,15H2,1-3H3,(H,27,30).
What are the key properties of N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23040772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).