N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C17H15N3O4 — CID 40660482

IUPACN-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)c1
InChIInChI=1S/C17H15N3O4/c1-9(21)11-5-4-6-12(7-11)19-15(22)13-10(2)24-16-14(13)17(23)20(3)8-18-16/h4-8H,1-3H3,(H,19,22)
InChIKeyJGYSEVHYDSBLQX-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.29
Rot. Bonds3

About N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 40660482) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID40660482
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)c1
InChIInChI=1S/C17H15N3O4/c1-9(21)11-5-4-6-12(7-11)19-15(22)13-10(2)24-16-14(13)17(23)20(3)8-18-16/h4-8H,1-3H3,(H,19,22)
InChIKeyJGYSEVHYDSBLQX-UHFFFAOYSA-N
XLogP2.29
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-4-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 43048186
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55892404
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55407762
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55973160
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55964443
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949926
N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55869447
N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
CID 53054130
N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35533144
3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 56568105
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 31218675
N-[3-(4-bromoanilino)-3-oxopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55952217

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 40660482) is N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is CC(=O)c1cccc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)c1.
What is the InChIKey of N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JGYSEVHYDSBLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-9(21)11-5-4-6-12(7-11)19-15(22)13-10(2)24-16-14(13)17(23)20(3)8-18-16/h4-8H,1-3H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 40660482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).