2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C23H21N5O4 — CID 56725526

IUPAC2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2
InChIInChI=1S/C23H21N5O4/c1-15-8-9-19(32-2)18(12-15)25-20(29)14-27-11-5-7-17-21(27)26-23(31)28(22(17)30)13-16-6-3-4-10-24-16/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKeyGBADHGBMLZOAIG-UHFFFAOYSA-N
MW431.45 g/mol
LogP1.91
Rot. Bonds6

About 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 56725526) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID56725526
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2
InChIInChI=1S/C23H21N5O4/c1-15-8-9-19(32-2)18(12-15)25-20(29)14-27-11-5-7-17-21(27)26-23(31)28(22(17)30)13-16-6-3-4-10-24-16/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKeyGBADHGBMLZOAIG-UHFFFAOYSA-N
XLogP1.91
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide
CID 56725661
2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 71683676
N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 53037423
N-(2-methoxy-5-methylphenyl)-2-(4-methyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50834191
N-(2-methoxy-5-methylphenyl)-2-(4-oxo-5H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395627
2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 30849619
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methoxy-5-methylphenyl)butanamide
CID 4604522
N-(5-amino-2-methoxyphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 63172234
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxy-5-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306967

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 56725526) is 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2.
What is the InChIKey of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is GBADHGBMLZOAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-15-8-9-19(32-2)18(12-15)25-20(29)14-27-11-5-7-17-21(27)26-23(31)28(22(17)30)13-16-6-3-4-10-24-16/h3-12H,13-14H2,1-2H3,(H,25,29).
What are the key properties of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 431.45 g/mol, XLogP of 1.91, 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-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 56725526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).