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

C22H23N5O — CID 24996951

IUPAC(2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCC1CNC(c2ccccc2)CN1c1cccc(C(=O)c2cccnc2N)n1
InChIInChI=1S/C22H23N5O/c1-15-13-25-19(16-7-3-2-4-8-16)14-27(15)20-11-5-10-18(26-20)21(28)17-9-6-12-24-22(17)23/h2-12,15,19,25H,13-14H2,1H3,(H2,23,24)
InChIKeyRAFAEXSYRVDXFO-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.83
Rot. Bonds4

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

(2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 24996951) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID24996951
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCC1CNC(c2ccccc2)CN1c1cccc(C(=O)c2cccnc2N)n1
InChIInChI=1S/C22H23N5O/c1-15-13-25-19(16-7-3-2-4-8-16)14-27(15)20-11-5-10-18(26-20)21(28)17-9-6-12-24-22(17)23/h2-12,15,19,25H,13-14H2,1H3,(H2,23,24)
InChIKeyRAFAEXSYRVDXFO-UHFFFAOYSA-N
XLogP2.83
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone (CID 24996951) is (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone is CC1CNC(c2ccccc2)CN1c1cccc(C(=O)c2cccnc2N)n1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is RAFAEXSYRVDXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-13-25-19(16-7-3-2-4-8-16)14-27(15)20-11-5-10-18(26-20)21(28)17-9-6-12-24-22(17)23/h2-12,15,19,25H,13-14H2,1H3,(H2,23,24).
What are the key properties of (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 373.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 24996951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).