7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

C21H22N4O4 — CID 66498745

IUPAC7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(CC3CCCO3)c2nc1C
InChIInChI=1S/C21H22N4O4/c1-12-6-3-4-8-17(12)23-19(26)15-10-16-18(22-13(15)2)25(21(28)24-20(16)27)11-14-7-5-9-29-14/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3,(H,23,26)(H,24,27,28)
InChIKeyBWNKEWMFWUMDKR-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.13
Rot. Bonds4

About 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 66498745) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID66498745
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(CC3CCCO3)c2nc1C
InChIInChI=1S/C21H22N4O4/c1-12-6-3-4-8-17(12)23-19(26)15-10-16-18(22-13(15)2)25(21(28)24-20(16)27)11-14-7-5-9-29-14/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3,(H,23,26)(H,24,27,28)
InChIKeyBWNKEWMFWUMDKR-UHFFFAOYSA-N
XLogP2.13
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 66498745) is 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is Cc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(CC3CCCO3)c2nc1C.
What is the InChIKey of 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BWNKEWMFWUMDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-12-6-3-4-8-17(12)23-19(26)15-10-16-18(22-13(15)2)25(21(28)24-20(16)27)11-14-7-5-9-29-14/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3,(H,23,26)(H,24,27,28).
What are the key properties of 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 66498745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).