N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C24H26N4O3 — CID 55457161

IUPACN-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C24H26N4O3/c1-17-16-20(9-10-21(17)28-13-11-27(2)12-14-28)26-23(29)18-5-7-19(8-6-18)25-24(30)22-4-3-15-31-22/h3-10,15-16H,11-14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeySOVZXXCAIPQZEM-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.84
Rot. Bonds5

About N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55457161) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55457161
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C24H26N4O3/c1-17-16-20(9-10-21(17)28-13-11-27(2)12-14-28)26-23(29)18-5-7-19(8-6-18)25-24(30)22-4-3-15-31-22/h3-10,15-16H,11-14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeySOVZXXCAIPQZEM-UHFFFAOYSA-N
XLogP3.84
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 134016359
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-[5-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31315172
N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55843395
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 1320461
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55457161) is N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is SOVZXXCAIPQZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-16-20(9-10-21(17)28-13-11-27(2)12-14-28)26-23(29)18-5-7-19(8-6-18)25-24(30)22-4-3-15-31-22/h3-10,15-16H,11-14H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55457161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).