2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide

C22H19N5O4 — CID 56725553

IUPAC2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1
InChIInChI=1S/C22H19N5O4/c1-31-17-8-6-16(7-9-17)24-19(28)14-26-11-3-5-18-20(26)25-22(30)27(21(18)29)13-15-4-2-10-23-12-15/h2-12H,13-14H2,1H3,(H,24,28)
InChIKeyAKMMMUMTHFJPGT-UHFFFAOYSA-N
MW417.43 g/mol
LogP1.60
Rot. Bonds6

About 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide

2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 56725553) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID56725553
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1
InChIInChI=1S/C22H19N5O4/c1-31-17-8-6-16(7-9-17)24-19(28)14-26-11-3-5-18-20(26)25-22(30)27(21(18)29)13-15-4-2-10-23-12-15/h2-12H,13-14H2,1H3,(H,24,28)
InChIKeyAKMMMUMTHFJPGT-UHFFFAOYSA-N
XLogP1.60
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methoxyphenyl)acetamide
CID 56725549
N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
CID 56725541
8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 66557396
2-(3-amino-2-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 62102933
8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 66557401
N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
CID 3165121
2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 16951903
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423901
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 42056600
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20879680

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide (CID 56725553) is 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1.
What is the InChIKey of 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is AKMMMUMTHFJPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-31-17-8-6-16(7-9-17)24-19(28)14-26-11-3-5-18-20(26)25-22(30)27(21(18)29)13-15-4-2-10-23-12-15/h2-12H,13-14H2,1H3,(H,24,28).
What are the key properties of 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide?
2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 417.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 56725553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).