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

C17H16N4O4 — CID 16841327

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H16N4O4/c1-20-14-13(16(23)21(2)17(20)24)12(7-8-18-14)19-15(22)10-5-4-6-11(9-10)25-3/h4-9H,1-3H3,(H,18,19,22)
InChIKeyYQVXLBKQDDLFIS-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.89
Rot. Bonds3

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

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide (PubChem CID 16841327) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
PubChem CID16841327
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H16N4O4/c1-20-14-13(16(23)21(2)17(20)24)12(7-8-18-14)19-15(22)10-5-4-6-11(9-10)25-3/h4-9H,1-3H3,(H,18,19,22)
InChIKeyYQVXLBKQDDLFIS-UHFFFAOYSA-N
XLogP0.89
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-methoxyphenyl)acetamide
CID 16841386
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-methyl-3-nitrobenzamide
CID 16841353
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 16841429
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide
CID 16841424
N-(6-chloroquinolin-4-yl)-3-methoxybenzamide
CID 17016577
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841389
3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397739
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide
CID 16841396
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide
CID 70807881
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845519

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide (CID 16841327) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccnc3c2c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide?
The InChIKey is YQVXLBKQDDLFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-20-14-13(16(23)21(2)17(20)24)12(7-8-18-14)19-15(22)10-5-4-6-11(9-10)25-3/h4-9H,1-3H3,(H,18,19,22).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide has a molecular weight of 340.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide is sourced from PubChem (CID 16841327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).