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

C23H26N4O4 — CID 139370930

IUPAC(2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCN1Cc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C23H26N4O4/c1-24-22(28)19-6-8-27(19)13-18-20(30-3)9-14(10-21(18)31-4)17-12-26(2)23(29)16-11-25-7-5-15(16)17/h5,7,9-12,19H,6,8,13H2,1-4H3,(H,24,28)/t19-/m0/s1
InChIKeyZDJYOHHFGRIKNG-IBGZPJMESA-N
MW422.49 g/mol
LogP1.94
Rot. Bonds6

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

(2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide (PubChem CID 139370930) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is (2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide
PubChem CID139370930
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name(2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCN1Cc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C23H26N4O4/c1-24-22(28)19-6-8-27(19)13-18-20(30-3)9-14(10-21(18)31-4)17-12-26(2)23(29)16-11-25-7-5-15(16)17/h5,7,9-12,19H,6,8,13H2,1-4H3,(H,24,28)/t19-/m0/s1
InChIKeyZDJYOHHFGRIKNG-IBGZPJMESA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide?
The IUPAC name of (2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide (CID 139370930) is (2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide is CNC(=O)[C@@H]1CCN1Cc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC.
What is the InChIKey of (2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide?
The InChIKey is ZDJYOHHFGRIKNG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O4/c1-24-22(28)19-6-8-27(19)13-18-20(30-3)9-14(10-21(18)31-4)17-12-26(2)23(29)16-11-25-7-5-15(16)17/h5,7,9-12,19H,6,8,13H2,1-4H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide?
(2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methylazetidine-2-carboxamide is sourced from PubChem (CID 139370930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).