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

C23H21N5O4 — CID 55958179

IUPAC6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)c3c(C)oc4nc[nH]c(=O)c34)c2)c1
InChIInChI=1S/C23H21N5O4/c1-13-5-3-7-16(9-13)27-23(31)28-17-8-4-6-15(10-17)11-24-20(29)18-14(2)32-22-19(18)21(30)25-12-26-22/h3-10,12H,11H2,1-2H3,(H,24,29)(H,25,26,30)(H2,27,28,31)
InChIKeyTZVCLHCMFLGCRU-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.71
Rot. Bonds5

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

6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55958179) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID55958179
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)c3c(C)oc4nc[nH]c(=O)c34)c2)c1
InChIInChI=1S/C23H21N5O4/c1-13-5-3-7-16(9-13)27-23(31)28-17-8-4-6-15(10-17)11-24-20(29)18-14(2)32-22-19(18)21(30)25-12-26-22/h3-10,12H,11H2,1-2H3,(H,24,29)(H,25,26,30)(H2,27,28,31)
InChIKeyTZVCLHCMFLGCRU-UHFFFAOYSA-N
XLogP3.71
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073119
6-methyl-4-oxo-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 39516500
N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55869447
N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55960049
N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 143746633
N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 31798248
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-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 34665634
N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 126780921
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 107261163
N-[(2R)-2-(ethylamino)propyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 120651735
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 55958179) is 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3c(C)oc4nc[nH]c(=O)c34)c2)c1.
What is the InChIKey of 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is TZVCLHCMFLGCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-13-5-3-7-16(9-13)27-23(31)28-17-8-4-6-15(10-17)11-24-20(29)18-14(2)32-22-19(18)21(30)25-12-26-22/h3-10,12H,11H2,1-2H3,(H,24,29)(H,25,26,30)(H2,27,28,31).
What are the key properties of 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55958179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).