[4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H25N5O — CID 109211032

IUPAC[4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(Cc1ccccc1)c1ccnc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-26(18-19-7-3-2-4-8-19)20-10-12-24-21(17-20)23(29)28-15-13-27(14-16-28)22-9-5-6-11-25-22/h2-12,17H,13-16,18H2,1H3
InChIKeyGOQZAGDFTFWEQJ-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.08
Rot. Bonds5

About [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109211032) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109211032
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(Cc1ccccc1)c1ccnc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-26(18-19-7-3-2-4-8-19)20-10-12-24-21(17-20)23(29)28-15-13-27(14-16-28)22-9-5-6-11-25-22/h2-12,17H,13-16,18H2,1H3
InChIKeyGOQZAGDFTFWEQJ-UHFFFAOYSA-N
XLogP3.08
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[benzyl(methyl)amino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109211045
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584
[4-(propan-2-ylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109201553
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
N-benzyl-N-methyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975525
2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 55703482
N-benzyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113161227
[4-[benzyl(ethyl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206409
[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109205899
[2-(benzylamino)-6-methylpyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109327103
N-butan-2-yl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109079999

Frequently Asked Questions

What is the IUPAC name of [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109211032) is [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CN(Cc1ccccc1)c1ccnc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GOQZAGDFTFWEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-26(18-19-7-3-2-4-8-19)20-10-12-24-21(17-20)23(29)28-15-13-27(14-16-28)22-9-5-6-11-25-22/h2-12,17H,13-16,18H2,1H3.
What are the key properties of [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109211032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).