(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone

C22H23N5O — CID 109235071

IUPAC(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2ccccn2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H23N5O/c28-22(27-12-10-26(11-13-27)21-7-2-1-3-8-21)18-14-20(16-23-15-18)25-17-19-6-4-5-9-24-19/h1-9,14-16,25H,10-13,17H2
InChIKeyKIVQMEZUDWQGER-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.05
Rot. Bonds5

About (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone

(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone (PubChem CID 109235071) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
PubChem CID109235071
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2ccccn2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H23N5O/c28-22(27-12-10-26(11-13-27)21-7-2-1-3-8-21)18-14-20(16-23-15-18)25-17-19-6-4-5-9-24-19/h1-9,14-16,25H,10-13,17H2
InChIKeyKIVQMEZUDWQGER-UHFFFAOYSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230732
(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109230428
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109231816
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237510
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109258694
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109235020
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109231488

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone (CID 109235071) is (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone is O=C(c1cncc(NCc2ccccn2)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone?
The InChIKey is KIVQMEZUDWQGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(27-12-10-26(11-13-27)21-7-2-1-3-8-21)18-14-20(16-23-15-18)25-17-19-6-4-5-9-24-19/h1-9,14-16,25H,10-13,17H2.
What are the key properties of (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone?
(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone has a molecular weight of 373.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109235071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).