(4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone

C24H27N5O — CID 126474596

IUPAC(4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccccc3)nc2NCCc2ccccn2)CC1
InChIInChI=1S/C24H27N5O/c1-28-15-17-29(18-16-28)24(30)21-10-11-22(19-7-3-2-4-8-19)27-23(21)26-14-12-20-9-5-6-13-25-20/h2-11,13H,12,14-18H2,1H3,(H,26,27)
InChIKeyINSYZLDLPHZWPI-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.19
Rot. Bonds6

About (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone (PubChem CID 126474596) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
PubChem CID126474596
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name(4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccccc3)nc2NCCc2ccccn2)CC1
InChIInChI=1S/C24H27N5O/c1-28-15-17-29(18-16-28)24(30)21-10-11-22(19-7-3-2-4-8-19)27-23(21)26-14-12-20-9-5-6-13-25-20/h2-11,13H,12,14-18H2,1H3,(H,26,27)
InChIKeyINSYZLDLPHZWPI-UHFFFAOYSA-N
XLogP3.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone (CID 126474596) is (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone is CN1CCN(C(=O)c2ccc(-c3ccccc3)nc2NCCc2ccccn2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone?
The InChIKey is INSYZLDLPHZWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-28-15-17-29(18-16-28)24(30)21-10-11-22(19-7-3-2-4-8-19)27-23(21)26-14-12-20-9-5-6-13-25-20/h2-11,13H,12,14-18H2,1H3,(H,26,27).
What are the key properties of (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone has a molecular weight of 401.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-phenyl-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 126474596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).