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

C24H26N4O3 — CID 55843395

IUPACN-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2)CC1
InChIInChI=1S/C24H26N4O3/c1-27-11-13-28(14-12-27)17-18-7-9-20(10-8-18)25-23(29)19-4-2-5-21(16-19)26-24(30)22-6-3-15-31-22/h2-10,15-16H,11-14,17H2,1H3,(H,25,29)(H,26,30)
InChIKeyTVPPDFXNYPAYGA-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.53
Rot. Bonds6

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

N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55843395) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55843395
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2)CC1
InChIInChI=1S/C24H26N4O3/c1-27-11-13-28(14-12-27)17-18-7-9-20(10-8-18)25-23(29)19-4-2-5-21(16-19)26-24(30)22-6-3-15-31-22/h2-10,15-16H,11-14,17H2,1H3,(H,25,29)(H,26,30)
InChIKeyTVPPDFXNYPAYGA-UHFFFAOYSA-N
XLogP3.53
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743
[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108765955
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120613822
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55457161
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 32731119
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55843395) is N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide is CN1CCN(Cc2ccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2)CC1.
What is the InChIKey of N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is TVPPDFXNYPAYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-27-11-13-28(14-12-27)17-18-7-9-20(10-8-18)25-23(29)19-4-2-5-21(16-19)26-24(30)22-6-3-15-31-22/h2-10,15-16H,11-14,17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55843395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).