4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide

C17H17N5O3 — CID 16845222

IUPAC4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
SMILESCc1cnc2c(c1Nc1ccc(C(N)=O)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H17N5O3/c1-9-8-19-15-12(16(24)22(3)17(25)21(15)2)13(9)20-11-6-4-10(5-7-11)14(18)23/h4-8H,1-3H3,(H2,18,23)(H,19,20)
InChIKeyNAOFPYRFPDQFHS-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.78
Rot. Bonds3

About 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide

4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide (PubChem CID 16845222) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
PubChem CID16845222
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
SMILESCc1cnc2c(c1Nc1ccc(C(N)=O)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H17N5O3/c1-9-8-19-15-12(16(24)22(3)17(25)21(15)2)13(9)20-11-6-4-10(5-7-11)14(18)23/h4-8H,1-3H3,(H2,18,23)(H,19,20)
InChIKeyNAOFPYRFPDQFHS-UHFFFAOYSA-N
XLogP0.78
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 42475324
4-[[2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzamide
CID 18585301
3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840715
1,3,6-trimethyl-5-(1,2-oxazol-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845208
1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845153
5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845183
4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840804
3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840692
2-ethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840693
4-[[2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 26841341
3-chloro-2,2-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840710
5-(3-acetylanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845344

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide?
The IUPAC name of 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide (CID 16845222) is 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide.
What is the SMILES notation for 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide?
The canonical SMILES for 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide is Cc1cnc2c(c1Nc1ccc(C(N)=O)cc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide?
The InChIKey is NAOFPYRFPDQFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-9-8-19-15-12(16(24)22(3)17(25)21(15)2)13(9)20-11-6-4-10(5-7-11)14(18)23/h4-8H,1-3H3,(H2,18,23)(H,19,20).
What are the key properties of 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide?
4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide has a molecular weight of 339.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide is sourced from PubChem (CID 16845222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).