7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H17N5O3 — CID 21198164

IUPAC7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)n(Cc3ccncc3)c(=O)c3ccc(N)nc32)cc1
InChIInChI=1S/C20H17N5O3/c1-28-15-4-2-14(3-5-15)25-18-16(6-7-17(21)23-18)19(26)24(20(25)27)12-13-8-10-22-11-9-13/h2-11H,12H2,1H3,(H2,21,23)
InChIKeyMIDRGVNNYMJAOH-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.58
Rot. Bonds4

About 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 21198164) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID21198164
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)n(Cc3ccncc3)c(=O)c3ccc(N)nc32)cc1
InChIInChI=1S/C20H17N5O3/c1-28-15-4-2-14(3-5-15)25-18-16(6-7-17(21)23-18)19(26)24(20(25)27)12-13-8-10-22-11-9-13/h2-11H,12H2,1H3,(H2,21,23)
InChIKeyMIDRGVNNYMJAOH-UHFFFAOYSA-N
XLogP1.58
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione 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-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 21198154
3-(4-fluorophenyl)-1,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 46061059
ethyl 2-[3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2,6-dioxopurin-7-yl]acetate
CID 46061481
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250728
7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 46061478
methyl 4-[[3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2,6-dioxopurin-7-yl]methyl]benzoate
CID 46062054
1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 50811143
9-chloro-1-[4-(2-isocyanopropan-2-yl)phenyl]-3-[(4-methoxyphenyl)methyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 123964159
5-amino-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001654
4-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1H-1,2,4-triazol-5-one
CID 50980637
1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 142045172

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 21198164) is 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(-n2c(=O)n(Cc3ccncc3)c(=O)c3ccc(N)nc32)cc1.
What is the InChIKey of 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MIDRGVNNYMJAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-15-4-2-14(3-5-15)25-18-16(6-7-17(21)23-18)19(26)24(20(25)27)12-13-8-10-22-11-9-13/h2-11H,12H2,1H3,(H2,21,23).
What are the key properties of 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 375.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 21198164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).