1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C21H17N5O3 — CID 166222006

IUPAC1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1ccc(-c2cccnc2)cc1NC(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C21H17N5O3/c1-12-5-6-13(14-4-3-9-22-11-14)10-17(12)24-20(28)16-8-7-15-18(23-16)26(2)21(29)25-19(15)27/h3-11H,1-2H3,(H,24,28)(H,25,27,29)
InChIKeyXPRMJYGPCRSGCP-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.24
Rot. Bonds3

About 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 166222006) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID166222006
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1ccc(-c2cccnc2)cc1NC(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C21H17N5O3/c1-12-5-6-13(14-4-3-9-22-11-14)10-17(12)24-20(28)16-8-7-15-18(23-16)26(2)21(29)25-19(15)27/h3-11H,1-2H3,(H,24,28)(H,25,27,29)
InChIKeyXPRMJYGPCRSGCP-UHFFFAOYSA-N
XLogP2.24
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 166222006) is 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1.
What is the InChIKey of 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is XPRMJYGPCRSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-12-5-6-13(14-4-3-9-22-11-14)10-17(12)24-20(28)16-8-7-15-18(23-16)26(2)21(29)25-19(15)27/h3-11H,1-2H3,(H,24,28)(H,25,27,29).
What are the key properties of 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 166222006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).