[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H23N5O — CID 109238602

IUPAC[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(c1ccccc1)c1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H23N5O/c1-25(19-7-3-2-4-8-19)20-15-18(16-23-17-20)22(28)27-13-11-26(12-14-27)21-9-5-6-10-24-21/h2-10,15-17H,11-14H2,1H3
InChIKeyBHZVHOJYDKDSIV-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.21
Rot. Bonds4

About [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109238602) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109238602
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(c1ccccc1)c1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H23N5O/c1-25(19-7-3-2-4-8-19)20-15-18(16-23-17-20)22(28)27-13-11-26(12-14-27)21-9-5-6-10-24-21/h2-10,15-17H,11-14H2,1H3
InChIKeyBHZVHOJYDKDSIV-UHFFFAOYSA-N
XLogP3.21
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238615
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238611
[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261118
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112768640
[2-[2-(dimethylamino)ethylamino]pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109252908

Frequently Asked Questions

What is the IUPAC name of [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109238602) is [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CN(c1ccccc1)c1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BHZVHOJYDKDSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-25(19-7-3-2-4-8-19)20-15-18(16-23-17-20)22(28)27-13-11-26(12-14-27)21-9-5-6-10-24-21/h2-10,15-17H,11-14H2,1H3.
What are the key properties of [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109238602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).