1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide

C20H19N5O4 — CID 39628674

IUPAC1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)nc2n(C)c1=O
InChIInChI=1S/C20H19N5O4/c1-23-17-14(19(28)24(2)20(23)29)9-10-15(22-17)18(27)21-12-5-7-13(8-6-12)25-11-3-4-16(25)26/h5-10H,3-4,11H2,1-2H3,(H,21,27)
InChIKeyQSKKRHYMDGGNNL-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.01
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 39628674) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID39628674
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)nc2n(C)c1=O
InChIInChI=1S/C20H19N5O4/c1-23-17-14(19(28)24(2)20(23)29)9-10-15(22-17)18(27)21-12-5-7-13(8-6-12)25-11-3-4-16(25)26/h5-10H,3-4,11H2,1-2H3,(H,21,27)
InChIKeyQSKKRHYMDGGNNL-UHFFFAOYSA-N
XLogP1.01
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47029857
1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37399249
1,3-dimethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823859
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide (CID 39628674) is 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is QSKKRHYMDGGNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-23-17-14(19(28)24(2)20(23)29)9-10-15(22-17)18(27)21-12-5-7-13(8-6-12)25-11-3-4-16(25)26/h5-10H,3-4,11H2,1-2H3,(H,21,27).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 39628674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).