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

C16H15N5O3 — CID 42475324

IUPAC4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
SMILESCn1c(=O)c2c(Nc3ccc(C(N)=O)cc3)ccnc2n(C)c1=O
InChIInChI=1S/C16H15N5O3/c1-20-14-12(15(23)21(2)16(20)24)11(7-8-18-14)19-10-5-3-9(4-6-10)13(17)22/h3-8H,1-2H3,(H2,17,22)(H,18,19)
InChIKeyWTAJMIKTZCCJHL-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.47
Rot. Bonds3

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

4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide (PubChem CID 42475324) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
PubChem CID42475324
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
SMILESCn1c(=O)c2c(Nc3ccc(C(N)=O)cc3)ccnc2n(C)c1=O
InChIInChI=1S/C16H15N5O3/c1-20-14-12(15(23)21(2)16(20)24)11(7-8-18-14)19-10-5-3-9(4-6-10)13(17)22/h3-8H,1-2H3,(H2,17,22)(H,18,19)
InChIKeyWTAJMIKTZCCJHL-UHFFFAOYSA-N
XLogP0.47
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 16845222
1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845539
5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 42475261
1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845519
1,3-dimethyl-5-(1,2-oxazol-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845554
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
4-[[2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzamide
CID 18585301
4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide
CID 163558887
5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845547
2-[8-(4-carbamoylanilino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid
CID 42109373
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
CID 16841327
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841389

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide?
The IUPAC name of 4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide (CID 42475324) is 4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide.
What is the SMILES notation for 4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide?
The canonical SMILES for 4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide is Cn1c(=O)c2c(Nc3ccc(C(N)=O)cc3)ccnc2n(C)c1=O.
What is the InChIKey of 4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide?
The InChIKey is WTAJMIKTZCCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-20-14-12(15(23)21(2)16(20)24)11(7-8-18-14)19-10-5-3-9(4-6-10)13(17)22/h3-8H,1-2H3,(H2,17,22)(H,18,19).
What are the key properties of 4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide?
4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide has a molecular weight of 325.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide is sourced from PubChem (CID 42475324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).