(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone

C22H23N5O — CID 24995354

IUPAC(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C22H23N5O/c1-15-6-2-3-7-16(15)19-14-27(13-12-24-19)20-10-4-9-18(26-20)21(28)17-8-5-11-25-22(17)23/h2-11,19,24H,12-14H2,1H3,(H2,23,25)
InChIKeyBFMQXMOKFYHZAS-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.75
Rot. Bonds4

About (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 24995354) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
PubChem CID24995354
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C22H23N5O/c1-15-6-2-3-7-16(15)19-14-27(13-12-24-19)20-10-4-9-18(26-20)21(28)17-8-5-11-25-22(17)23/h2-11,19,24H,12-14H2,1H3,(H2,23,25)
InChIKeyBFMQXMOKFYHZAS-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone with MolForge

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Related Compounds

(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 160845215
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
(2-amino-3-pyridinyl)-[6-[3-(4-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 161079652
(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 159979319
[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 160533261
(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 157359647
[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160802202
(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24992175
(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone
CID 24993155
(2-amino-3-pyridinyl)-[6-[4-(cyclopropylamino)piperidin-1-yl]-2-pyridinyl]methanone
CID 24993479
(2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24996951
(2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone
CID 67739531

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone (CID 24995354) is (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone is Cc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is BFMQXMOKFYHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-6-2-3-7-16(15)19-14-27(13-12-24-19)20-10-4-9-18(26-20)21(28)17-8-5-11-25-22(17)23/h2-11,19,24H,12-14H2,1H3,(H2,23,25).
What are the key properties of (2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 373.46 g/mol, XLogP of 2.75, 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-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 24995354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).