4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C19H23ClN4O — CID 113108589

IUPAC4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NCc3cccnc3)CC2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-14-10-15(2)18(17(20)11-14)23-6-8-24(9-7-23)19(25)22-13-16-4-3-5-21-12-16/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,25)
InChIKeyZZTQMXFNPMLMEJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.38
Rot. Bonds3

About 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide

4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108589) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID113108589
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NCc3cccnc3)CC2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-14-10-15(2)18(17(20)11-14)23-6-8-24(9-7-23)19(25)22-13-16-4-3-5-21-12-16/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,25)
InChIKeyZZTQMXFNPMLMEJ-UHFFFAOYSA-N
XLogP3.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)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

4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113106580
4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106498
4-(3-bromo-4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108593
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
4-(2-bromophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108620
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999536
4-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108600
4-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 25359833
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 113108589) is 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide is Cc1cc(C)c(N2CCN(C(=O)NCc3cccnc3)CC2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ZZTQMXFNPMLMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-14-10-15(2)18(17(20)11-14)23-6-8-24(9-7-23)19(25)22-13-16-4-3-5-21-12-16/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,25).
What are the key properties of 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).