(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid

C25H28N4O9 — CID 172970343

IUPAC(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C21H22N4O3.C4H6O6/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21;5-1(3(7)8)2(6)4(9)10/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26);1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m11/s1
InChIKeyRUKAQMGJQQRLRG-MYNXEKQJSA-N
MW528.52 g/mol
LogP0.86
Rot. Bonds8

About (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid

(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid (PubChem CID 172970343) has the molecular formula C25H28N4O9 and a molecular weight of 528.52 g/mol. Its IUPAC name is (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
PubChem CID172970343
Molecular FormulaC25H28N4O9
Molecular Weight528.52 g/mol
Exact Mass528.19
IUPAC Name(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C21H22N4O3.C4H6O6/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21;5-1(3(7)8)2(6)4(9)10/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26);1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m11/s1
InChIKeyRUKAQMGJQQRLRG-MYNXEKQJSA-N
XLogP0.86
TPSA225.32 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.52
LogP ≤ 50.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid 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 (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
The IUPAC name of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid (CID 172970343) is (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid.
What is the SMILES notation for (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
The canonical SMILES for (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid is CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
The InChIKey is RUKAQMGJQQRLRG-MYNXEKQJSA-N. The full InChI is InChI=1S/C21H22N4O3.C4H6O6/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21;5-1(3(7)8)2(6)4(9)10/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26);1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m11/s1.
What are the key properties of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid has a molecular weight of 528.52 g/mol, XLogP of 0.86, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 172970343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).