N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide

C17H16N4O4 — CID 101349667

IUPACN-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide
SMILESCn1c2c(c(=O)n(C)c1=O)N=C(C(=O)NCc1ccccc1)C(=O)C2
InChIInChI=1S/C17H16N4O4/c1-20-11-8-12(22)14(19-13(11)16(24)21(2)17(20)25)15(23)18-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,23)
InChIKeyRZKIGPVDALZURY-UHFFFAOYSA-N
MW340.34 g/mol
LogP-0.40
Rot. Bonds3

About N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide

N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide (PubChem CID 101349667) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide
PubChem CID101349667
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide
SMILESCn1c2c(c(=O)n(C)c1=O)N=C(C(=O)NCc1ccccc1)C(=O)C2
InChIInChI=1S/C17H16N4O4/c1-20-11-8-12(22)14(19-13(11)16(24)21(2)17(20)25)15(23)18-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,23)
InChIKeyRZKIGPVDALZURY-UHFFFAOYSA-N
XLogP-0.40
TPSA102.53 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 ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 14444896
N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476483
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
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CID 110694467
N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pyridin-1-ium-3-carboxamide
CID 2306822
N-benzyl-3,4-dioxocyclopentene-1-carboxamide
CID 22157618
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
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N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
N-benzyl-1,2-dimethyl-6-oxopyridine-4-carboxamide
CID 20668750
N-benzyl-2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CID 1173816

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide (CID 101349667) is N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide is Cn1c2c(c(=O)n(C)c1=O)N=C(C(=O)NCc1ccccc1)C(=O)C2.
What is the InChIKey of N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is RZKIGPVDALZURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-20-11-8-12(22)14(19-13(11)16(24)21(2)17(20)25)15(23)18-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,23).
What are the key properties of N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide?
N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 340.34 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 101349667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).