(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone

C22H21ClN4O — CID 134799669

IUPAC(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C22H21ClN4O/c23-21-8-7-18(15-25-21)22(28)27-12-10-26(11-13-27)16-19-4-1-2-6-20(19)17-5-3-9-24-14-17/h1-9,14-15H,10-13,16H2
InChIKeyQRWNCZFZUKHOMS-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.76
Rot. Bonds4

About (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone

(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 134799669) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID134799669
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C22H21ClN4O/c23-21-8-7-18(15-25-21)22(28)27-12-10-26(11-13-27)16-19-4-1-2-6-20(19)17-5-3-9-24-14-17/h1-9,14-15H,10-13,16H2
InChIKeyQRWNCZFZUKHOMS-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone (CID 134799669) is (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)nc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1.
What is the InChIKey of (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is QRWNCZFZUKHOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-21-8-7-18(15-25-21)22(28)27-12-10-26(11-13-27)16-19-4-1-2-6-20(19)17-5-3-9-24-14-17/h1-9,14-15H,10-13,16H2.
What are the key properties of (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone?
(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 392.89 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 134799669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).