5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide

C35H30N4O2 — CID 57401827

IUPAC5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
SMILESN#Cc1ccc(-c2ccc(C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccc(N4CCNCC4)cc3)o2)cc1
InChIInChI=1S/C35H30N4O2/c36-24-26-6-12-30(13-7-26)33-18-19-34(41-33)35(40)39(32-16-14-31(15-17-32)38-22-20-37-21-23-38)25-27-8-10-29(11-9-27)28-4-2-1-3-5-28/h1-19,37H,20-23,25H2
InChIKeyCNORLXHSUGTBGL-UHFFFAOYSA-N
MW538.65 g/mol
LogP6.74
Rot. Bonds7

About 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide

5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide (PubChem CID 57401827) has the molecular formula C35H30N4O2 and a molecular weight of 538.65 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
PubChem CID57401827
Molecular FormulaC35H30N4O2
Molecular Weight538.65 g/mol
Exact Mass538.24
IUPAC Name5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
SMILESN#Cc1ccc(-c2ccc(C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccc(N4CCNCC4)cc3)o2)cc1
InChIInChI=1S/C35H30N4O2/c36-24-26-6-12-30(13-7-26)33-18-19-34(41-33)35(40)39(32-16-14-31(15-17-32)38-22-20-37-21-23-38)25-27-8-10-29(11-9-27)28-4-2-1-3-5-28/h1-19,37H,20-23,25H2
InChIKeyCNORLXHSUGTBGL-UHFFFAOYSA-N
XLogP6.74
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 56.74
H-Bond Donors ≤ 51
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

5-(4-cyanophenyl)-N-[[2-(2-fluorophenyl)phenyl]methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
CID 57401828
5-(4-cyanophenyl)-N-(4-piperazin-1-ylphenyl)-N-[(2-pyridin-3-ylphenyl)methyl]furan-2-carboxamide
CID 57403552
5-(4-cyanophenyl)-N-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
CID 57391323
5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
CID 70695898
N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-N-[4-[5-(thiomorpholine-4-carbonyl)furan-2-yl]phenyl]benzamide
CID 91484004
5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 57393088
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide
CID 71194814
4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide
CID 23508526
5-(4-cyanophenyl)furan-2-carbohydrazide
CID 91684313
N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-3-fluoro-N-[4-[5-(piperidine-1-carbonyl)furan-2-yl]phenyl]benzamide
CID 91435783
N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 155102286
1-(4-benzylphenyl)piperazine
CID 4738749

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide (CID 57401827) is 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide is N#Cc1ccc(-c2ccc(C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccc(N4CCNCC4)cc3)o2)cc1.
What is the InChIKey of 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is CNORLXHSUGTBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4O2/c36-24-26-6-12-30(13-7-26)33-18-19-34(41-33)35(40)39(32-16-14-31(15-17-32)38-22-20-37-21-23-38)25-27-8-10-29(11-9-27)28-4-2-1-3-5-28/h1-19,37H,20-23,25H2.
What are the key properties of 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide?
5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 538.65 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 57401827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).