N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide

C25H26FN5O2 — CID 58899757

IUPACN-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
SMILESCc1ccc(F)c(NC(=O)N2CCN(C(=O)c3ccc(N(C)c4ccncc4)cc3)CC2)c1
InChIInChI=1S/C25H26FN5O2/c1-18-3-8-22(26)23(17-18)28-25(33)31-15-13-30(14-16-31)24(32)19-4-6-20(7-5-19)29(2)21-9-11-27-12-10-21/h3-12,17H,13-16H2,1-2H3,(H,28,33)
InChIKeyDUYKWJUIUDNOCR-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.29
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide

N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide (PubChem CID 58899757) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
PubChem CID58899757
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
SMILESCc1ccc(F)c(NC(=O)N2CCN(C(=O)c3ccc(N(C)c4ccncc4)cc3)CC2)c1
InChIInChI=1S/C25H26FN5O2/c1-18-3-8-22(26)23(17-18)28-25(33)31-15-13-30(14-16-31)24(32)19-4-6-20(7-5-19)29(2)21-9-11-27-12-10-21/h3-12,17H,13-16H2,1-2H3,(H,28,33)
InChIKeyDUYKWJUIUDNOCR-UHFFFAOYSA-N
XLogP4.29
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-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-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 143496573
4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 58899705
N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899814
4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 58899714
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
N-(2,4-dimethylphenyl)formamide;(4-methylpiperazin-1-yl)-[4-[methyl(pyridin-4-yl)amino]phenyl]methanone
CID 143496568
N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899819
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
4-(dimethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 78769182
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768345
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide (CID 58899757) is N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide is Cc1ccc(F)c(NC(=O)N2CCN(C(=O)c3ccc(N(C)c4ccncc4)cc3)CC2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The InChIKey is DUYKWJUIUDNOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-18-3-8-22(26)23(17-18)28-25(33)31-15-13-30(14-16-31)24(32)19-4-6-20(7-5-19)29(2)21-9-11-27-12-10-21/h3-12,17H,13-16H2,1-2H3,(H,28,33).
What are the key properties of N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 58899757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).