N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide

C35H35F3N8O2 — CID 11578320

IUPACN-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide
SMILESCc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1.NNC(=O)c1ccncc1
InChIInChI=1S/C29H28F3N5O.C6H7N3O/c1-21-24(20-35-14-16-36(17-15-35)26-9-5-8-25(19-26)29(30,31)32)18-27(22-6-3-2-4-7-22)37(21)34-28(38)23-10-12-33-13-11-23;7-9-6(10)5-1-3-8-4-2-5/h2-13,18-19H,14-17,20H2,1H3,(H,34,38);1-4H,7H2,(H,9,10)
InChIKeyQYVJSQXFPPVLRI-UHFFFAOYSA-N
MW656.71 g/mol
LogP5.27
Rot. Bonds7

About N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide

N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide (PubChem CID 11578320) has the molecular formula C35H35F3N8O2 and a molecular weight of 656.71 g/mol. Its IUPAC name is N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide
PubChem CID11578320
Molecular FormulaC35H35F3N8O2
Molecular Weight656.71 g/mol
Exact Mass656.28
IUPAC NameN-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide
SMILESCc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1.NNC(=O)c1ccncc1
InChIInChI=1S/C29H28F3N5O.C6H7N3O/c1-21-24(20-35-14-16-36(17-15-35)26-9-5-8-25(19-26)29(30,31)32)18-27(22-6-3-2-4-7-22)37(21)34-28(38)23-10-12-33-13-11-23;7-9-6(10)5-1-3-8-4-2-5/h2-13,18-19H,14-17,20H2,1H3,(H,34,38);1-4H,7H2,(H,9,10)
InChIKeyQYVJSQXFPPVLRI-UHFFFAOYSA-N
XLogP5.27
TPSA121.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.71
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide 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-(2-Methyl-5-phenyl-3-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-1H-pyrrol-1-yl)-4-pyridinecarboxamide
CID 6479837
N'-[(E)-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene]pyridine-4-carbohydrazide
CID 9564856
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 1364494
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6897167
N-[2-methyl-5-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide
CID 53318690
N-[5-methyl-2-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide
CID 3011395
N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyrazine-2-carboxamide
CID 3011407
N-[5-methyl-2-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyrazine-2-carboxamide
CID 6479846
N-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 1231206
N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenyl-pyrrol-1-yl]pyridine-4-carboxamide
CID 3011394
N-[2-methyl-3-(morpholinomethyl)-5-phenyl-pyrrol-1-yl]pyridine-4-carboxamide
CID 3011401
N-[3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-5-phenyl-pyrrol-1-yl]pyridine-4-carboxamide
CID 3011402

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide?
The IUPAC name of N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide (CID 11578320) is N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide.
What is the SMILES notation for N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide?
The canonical SMILES for N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide is Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1.NNC(=O)c1ccncc1.
What is the InChIKey of N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide?
The InChIKey is QYVJSQXFPPVLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N5O.C6H7N3O/c1-21-24(20-35-14-16-36(17-15-35)26-9-5-8-25(19-26)29(30,31)32)18-27(22-6-3-2-4-7-22)37(21)34-28(38)23-10-12-33-13-11-23;7-9-6(10)5-1-3-8-4-2-5/h2-13,18-19H,14-17,20H2,1H3,(H,34,38);1-4H,7H2,(H,9,10).
What are the key properties of N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide?
N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide has a molecular weight of 656.71 g/mol, XLogP of 5.27, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide;pyridine-4-carbohydrazide is sourced from PubChem (CID 11578320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).