1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine

C17H21ClN4 — CID 134426894

IUPAC1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine
SMILESCc1cnc(-c2cc(N3CCN(C)CC3)ncc2Cl)c(C)c1
InChIInChI=1S/C17H21ClN4/c1-12-8-13(2)17(20-10-12)14-9-16(19-11-15(14)18)22-6-4-21(3)5-7-22/h8-11H,4-7H2,1-3H3
InChIKeyMTRPQGYLGBQAON-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.17
Rot. Bonds2

About 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine

1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine (PubChem CID 134426894) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine
PubChem CID134426894
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine
SMILESCc1cnc(-c2cc(N3CCN(C)CC3)ncc2Cl)c(C)c1
InChIInChI=1S/C17H21ClN4/c1-12-8-13(2)17(20-10-12)14-9-16(19-11-15(14)18)22-6-4-21(3)5-7-22/h8-11H,4-7H2,1-3H3
InChIKeyMTRPQGYLGBQAON-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine (CID 134426894) is 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine is Cc1cnc(-c2cc(N3CCN(C)CC3)ncc2Cl)c(C)c1.
What is the InChIKey of 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine?
The InChIKey is MTRPQGYLGBQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-12-8-13(2)17(20-10-12)14-9-16(19-11-15(14)18)22-6-4-21(3)5-7-22/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine?
1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine has a molecular weight of 316.84 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 134426894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).