1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H16N4O3 — CID 19781682

IUPAC1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1c2cccnc2n(-c2cccc(CO)c2)c(=O)n1Cc1cccnc1
InChIInChI=1S/C20H16N4O3/c25-13-14-4-1-6-16(10-14)24-18-17(7-3-9-22-18)19(26)23(20(24)27)12-15-5-2-8-21-11-15/h1-11,25H,12-13H2
InChIKeyXWMANWBPRFZVFB-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.48
Rot. Bonds4

About 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 19781682) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID19781682
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1c2cccnc2n(-c2cccc(CO)c2)c(=O)n1Cc1cccnc1
InChIInChI=1S/C20H16N4O3/c25-13-14-4-1-6-16(10-14)24-18-17(7-3-9-22-18)19(26)23(20(24)27)12-15-5-2-8-21-11-15/h1-11,25H,12-13H2
InChIKeyXWMANWBPRFZVFB-UHFFFAOYSA-N
XLogP1.48
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-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

3-[(3-Benzyl-1,2,3,4-tetrahydro-2,4-dioxopyrido[2,3-d]pyrimidin)-1-yl]benzoic acid methyl ester
CID 9930122
N-benzyl-6-[3-[[4-(hydroxymethyl)benzoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 57748318
Methyl 3-[3-(cyclopentylmethyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 14442119
6-(Dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,7-naphthyridin-1-one
CID 118722848
Methyl 2-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 15988208
methyl 2-[1-(3-nitrobenzyl)-2,4-dioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]nicotinate
CID 16193991
5-[4-(Hydroxymethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50925179
US10023562, Example 122
CID 90154911
(4-Fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 156811032
(4-Fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 156811345
N11-Ethyl-8-hydroxymethyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453290
5-[4-(2-Hydroxyethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66958935

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 19781682) is 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=c1c2cccnc2n(-c2cccc(CO)c2)c(=O)n1Cc1cccnc1.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XWMANWBPRFZVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-13-14-4-1-6-16(10-14)24-18-17(7-3-9-22-18)19(26)23(20(24)27)12-15-5-2-8-21-11-15/h1-11,25H,12-13H2.
What are the key properties of 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 360.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 19781682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).