1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C21H23N5O4 — CID 55720567

IUPAC1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C21H23N5O4/c1-11(2)18(27)22-13-7-6-12(3)16(10-13)24-19(28)15-9-8-14-17(23-15)25(4)21(30)26(5)20(14)29/h6-11H,1-5H3,(H,22,27)(H,24,28)
InChIKeyVKUDIVFSEMZWQH-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.79
Rot. Bonds4

About 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55720567) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55720567
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C21H23N5O4/c1-11(2)18(27)22-13-7-6-12(3)16(10-13)24-19(28)15-9-8-14-17(23-15)25(4)21(30)26(5)20(14)29/h6-11H,1-5H3,(H,22,27)(H,24,28)
InChIKeyVKUDIVFSEMZWQH-UHFFFAOYSA-N
XLogP1.79
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30839985
1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37399249
N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55577042
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-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55580012
N-[3-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708502
1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 86991547
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 46475612
1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39628674

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 55720567) is 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is VKUDIVFSEMZWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-11(2)18(27)22-13-7-6-12(3)16(10-13)24-19(28)15-9-8-14-17(23-15)25(4)21(30)26(5)20(14)29/h6-11H,1-5H3,(H,22,27)(H,24,28).
What are the key properties of 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55720567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).