7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide

C25H26N6O6 — CID 23476634

IUPAC7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(-c2c(C(=O)NCc3cccnc3)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C25H26N6O6/c1-30-22-19(24(33)31(2)25(30)34)17(14-9-15(35-3)20(37-5)16(10-14)36-4)18(21(26)29-22)23(32)28-12-13-7-6-8-27-11-13/h6-11H,12H2,1-5H3,(H2,26,29)(H,28,32)
InChIKeyXMGMVYTUHGGUAM-UHFFFAOYSA-N
MW506.52 g/mol
LogP1.23
Rot. Bonds7

About 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23476634) has the molecular formula C25H26N6O6 and a molecular weight of 506.52 g/mol. Its IUPAC name is 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID23476634
Molecular FormulaC25H26N6O6
Molecular Weight506.52 g/mol
Exact Mass506.19
IUPAC Name7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(-c2c(C(=O)NCc3cccnc3)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C25H26N6O6/c1-30-22-19(24(33)31(2)25(30)34)17(14-9-15(35-3)20(37-5)16(10-14)36-4)18(21(26)29-22)23(32)28-12-13-7-6-8-27-11-13/h6-11H,12H2,1-5H3,(H2,26,29)(H,28,32)
InChIKeyXMGMVYTUHGGUAM-UHFFFAOYSA-N
XLogP1.23
TPSA152.59 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.52
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-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

7-amino-5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476622
7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476483
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 4543569
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807721
N-benzyl-2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CID 40864191
N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 117085171
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175472
1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 73485084
5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
CID 22515232

Frequently Asked Questions

What is the IUPAC name of 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 23476634) is 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide is COc1cc(-c2c(C(=O)NCc3cccnc3)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC.
What is the InChIKey of 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XMGMVYTUHGGUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O6/c1-30-22-19(24(33)31(2)25(30)34)17(14-9-15(35-3)20(37-5)16(10-14)36-4)18(21(26)29-22)23(32)28-12-13-7-6-8-27-11-13/h6-11H,12H2,1-5H3,(H2,26,29)(H,28,32).
What are the key properties of 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 506.52 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23476634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).