(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone

C26H24N6O — CID 24992175

IUPAC(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESNc1ncc(-c2cccnc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C26H24N6O/c27-26-21(14-20(16-30-26)19-8-5-11-28-15-19)25(33)22-9-4-10-24(31-22)32-13-12-29-23(17-32)18-6-2-1-3-7-18/h1-11,14-16,23,29H,12-13,17H2,(H2,27,30)
InChIKeyQJBCQYXKJKVBHX-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.50
Rot. Bonds5

About (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone

(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 24992175) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID24992175
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESNc1ncc(-c2cccnc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C26H24N6O/c27-26-21(14-20(16-30-26)19-8-5-11-28-15-19)25(33)22-9-4-10-24(31-22)32-13-12-29-23(17-32)18-6-2-1-3-7-18/h1-11,14-16,23,29H,12-13,17H2,(H2,27,30)
InChIKeyQJBCQYXKJKVBHX-UHFFFAOYSA-N
XLogP3.50
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone (CID 24992175) is (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone is Nc1ncc(-c2cccnc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is QJBCQYXKJKVBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c27-26-21(14-20(16-30-26)19-8-5-11-28-15-19)25(33)22-9-4-10-24(31-22)32-13-12-29-23(17-32)18-6-2-1-3-7-18/h1-11,14-16,23,29H,12-13,17H2,(H2,27,30).
What are the key properties of (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 436.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 24992175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).