2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide

C20H15N5O3 — CID 67862947

IUPAC2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide
SMILESNC(=O)c1ccccc1-n1c(=O)n(Cc2ccccn2)c(=O)c2cccnc21
InChIInChI=1S/C20H15N5O3/c21-17(26)14-7-1-2-9-16(14)25-18-15(8-5-11-23-18)19(27)24(20(25)28)12-13-6-3-4-10-22-13/h1-11H,12H2,(H2,21,26)
InChIKeyQXQYUZFMGZACGR-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.09
Rot. Bonds4

About 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide

2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide (PubChem CID 67862947) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide
PubChem CID67862947
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide
SMILESNC(=O)c1ccccc1-n1c(=O)n(Cc2ccccn2)c(=O)c2cccnc21
InChIInChI=1S/C20H15N5O3/c21-17(26)14-7-1-2-9-16(14)25-18-15(8-5-11-23-18)19(27)24(20(25)28)12-13-6-3-4-10-22-13/h1-11H,12H2,(H2,21,26)
InChIKeyQXQYUZFMGZACGR-UHFFFAOYSA-N
XLogP1.09
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 67862933
3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)-7H-purine-2,6-dione
CID 175928852
1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 67862526
1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250672
5-hydroxy-9-(pyridin-2-ylmethyl)carbazole-4-carboxamide
CID 22740539
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
1-(2-nitrophenyl)-3-[(4-oxo-3H-pyridin-2-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 67862147
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371
2-[2,4-dioxo-3-[(4-oxo-1H-pyridin-2-yl)methyl]pyrido[2,3-d]pyrimidin-1-yl]benzonitrile
CID 54021807
1-(4-methylsulfinylphenyl)-3-(2-pyridin-2-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 67862821
1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 69373361
3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 67862603

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide?
The IUPAC name of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide (CID 67862947) is 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide?
The canonical SMILES for 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide is NC(=O)c1ccccc1-n1c(=O)n(Cc2ccccn2)c(=O)c2cccnc21.
What is the InChIKey of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide?
The InChIKey is QXQYUZFMGZACGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c21-17(26)14-7-1-2-9-16(14)25-18-15(8-5-11-23-18)19(27)24(20(25)28)12-13-6-3-4-10-22-13/h1-11H,12H2,(H2,21,26).
What are the key properties of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide?
2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide has a molecular weight of 373.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide is sourced from PubChem (CID 67862947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).