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

C25H26ClN5O2 — CID 143496573

IUPACN-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)c3ccc(N(C)c4ccncc4)cc3)CC2)c(Cl)c1
InChIInChI=1S/C25H26ClN5O2/c1-18-3-8-23(22(26)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)
InChIKeyOIUHQBWHTAXEEQ-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.80
Rot. Bonds4

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

N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide (PubChem CID 143496573) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
PubChem CID143496573
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC NameN-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)c3ccc(N(C)c4ccncc4)cc3)CC2)c(Cl)c1
InChIInChI=1S/C25H26ClN5O2/c1-18-3-8-23(22(26)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)
InChIKeyOIUHQBWHTAXEEQ-UHFFFAOYSA-N
XLogP4.80
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899757
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
N-(2,4-dimethylphenyl)formamide;(4-methylpiperazin-1-yl)-[4-[methyl(pyridin-4-yl)amino]phenyl]methanone
CID 143496568
4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 58899714
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17148611
N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899819
1-chloro-2-hydroxysulfanylbenzene;[4-[methyl(pyridin-4-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 143496580
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111754219
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide (CID 143496573) is N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(N(C)c4ccncc4)cc3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The InChIKey is OIUHQBWHTAXEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-18-3-8-23(22(26)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-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 143496573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).