N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C21H16N4O4 — CID 55869447

IUPACN-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H16N4O4/c1-12-16(17-19(27)22-11-23-21(17)29-12)20(28)25-15-9-5-8-14(10-15)24-18(26)13-6-3-2-4-7-13/h2-11H,1H3,(H,24,26)(H,25,28)(H,22,23,27)
InChIKeyWJGVVXFGWUGAOX-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.33
Rot. Bonds4

About N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55869447) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID55869447
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC NameN-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H16N4O4/c1-12-16(17-19(27)22-11-23-21(17)29-12)20(28)25-15-9-5-8-14(10-15)24-18(26)13-6-3-2-4-7-13/h2-11H,1H3,(H,24,26)(H,25,28)(H,22,23,27)
InChIKeyWJGVVXFGWUGAOX-UHFFFAOYSA-N
XLogP3.33
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(3-methylphenyl)-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 36676708
6-methyl-4-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 39585738
N-(4-ethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 37345022
N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 143746633
6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55958179
N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 31798248
6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 154798288
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073119
1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165040
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735763
6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 94805754

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 55869447) is N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is WJGVVXFGWUGAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c1-12-16(17-19(27)22-11-23-21(17)29-12)20(28)25-15-9-5-8-14(10-15)24-18(26)13-6-3-2-4-7-13/h2-11H,1H3,(H,24,26)(H,25,28)(H,22,23,27).
What are the key properties of N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 388.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55869447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).