1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

C23H22N2O3 — CID 166185798

IUPAC1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCC1Cc2cc(-c3ccc(CNC(=O)c4cccn(C)c4=O)cc3)ccc2O1
InChIInChI=1S/C23H22N2O3/c1-15-12-19-13-18(9-10-21(19)28-15)17-7-5-16(6-8-17)14-24-22(26)20-4-3-11-25(2)23(20)27/h3-11,13,15H,12,14H2,1-2H3,(H,24,26)
InChIKeyAVPVKODUCPBIGN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.31
Rot. Bonds4

About 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 166185798) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID166185798
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCC1Cc2cc(-c3ccc(CNC(=O)c4cccn(C)c4=O)cc3)ccc2O1
InChIInChI=1S/C23H22N2O3/c1-15-12-19-13-18(9-10-21(19)28-15)17-7-5-16(6-8-17)14-24-22(26)20-4-3-11-25(2)23(20)27/h3-11,13,15H,12,14H2,1-2H3,(H,24,26)
InChIKeyAVPVKODUCPBIGN-UHFFFAOYSA-N
XLogP3.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (CID 166185798) is 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is CC1Cc2cc(-c3ccc(CNC(=O)c4cccn(C)c4=O)cc3)ccc2O1.
What is the InChIKey of 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is AVPVKODUCPBIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15-12-19-13-18(9-10-21(19)28-15)17-7-5-16(6-8-17)14-24-22(26)20-4-3-11-25(2)23(20)27/h3-11,13,15H,12,14H2,1-2H3,(H,24,26).
What are the key properties of 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 166185798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).