N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide

C16H17N3O3 — CID 110666832

IUPACN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCCN(c2ccc(NC(=O)c3ccco3)cc2)C1=O
InChIInChI=1S/C16H17N3O3/c1-18-9-3-10-19(16(18)21)13-7-5-12(6-8-13)17-15(20)14-4-2-11-22-14/h2,4-8,11H,3,9-10H2,1H3,(H,17,20)
InChIKeyITIYMIGVBPEVAJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.79
Rot. Bonds3

About N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide

N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide (PubChem CID 110666832) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide
PubChem CID110666832
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCCN(c2ccc(NC(=O)c3ccco3)cc2)C1=O
InChIInChI=1S/C16H17N3O3/c1-18-9-3-10-19(16(18)21)13-7-5-12(6-8-13)17-15(20)14-4-2-11-22-14/h2,4-8,11H,3,9-10H2,1H3,(H,17,20)
InChIKeyITIYMIGVBPEVAJ-UHFFFAOYSA-N
XLogP2.79
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-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-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide
CID 46069600
N-[4-(2-oxoimidazolidin-1-yl)phenyl]furan-2-carboxamide
CID 51299859
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
3-methoxy-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666844
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110666879
1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666930
N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 7032662

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide (CID 110666832) is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide is CN1CCCN(c2ccc(NC(=O)c3ccco3)cc2)C1=O.
What is the InChIKey of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is ITIYMIGVBPEVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-18-9-3-10-19(16(18)21)13-7-5-12(6-8-13)17-15(20)14-4-2-11-22-14/h2,4-8,11H,3,9-10H2,1H3,(H,17,20).
What are the key properties of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide?
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 110666832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).