1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide

C23H26N4O4 — CID 139371116

IUPAC1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2c(OC)cc(-c3cn(C)c(=O)c4cnccc34)cc2OC)C1
InChIInChI=1S/C23H26N4O4/c1-24-22(28)15-10-27(11-15)13-19-20(30-3)7-14(8-21(19)31-4)18-12-26(2)23(29)17-9-25-6-5-16(17)18/h5-9,12,15H,10-11,13H2,1-4H3,(H,24,28)
InChIKeyIXGPWPVXVCBDNH-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.80
Rot. Bonds6

About 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide

1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide (PubChem CID 139371116) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide
PubChem CID139371116
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2c(OC)cc(-c3cn(C)c(=O)c4cnccc34)cc2OC)C1
InChIInChI=1S/C23H26N4O4/c1-24-22(28)15-10-27(11-15)13-19-20(30-3)7-14(8-21(19)31-4)18-12-26(2)23(29)17-9-25-6-5-16(17)18/h5-9,12,15H,10-11,13H2,1-4H3,(H,24,28)
InChIKeyIXGPWPVXVCBDNH-UHFFFAOYSA-N
XLogP1.80
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide (CID 139371116) is 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(Cc2c(OC)cc(-c3cn(C)c(=O)c4cnccc34)cc2OC)C1.
What is the InChIKey of 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is IXGPWPVXVCBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-24-22(28)15-10-27(11-15)13-19-20(30-3)7-14(8-21(19)31-4)18-12-26(2)23(29)17-9-25-6-5-16(17)18/h5-9,12,15H,10-11,13H2,1-4H3,(H,24,28).
What are the key properties of 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide?
1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 139371116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).