(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

C21H25Cl2N5O — CID 159979319

IUPAC(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESNc1ncccc1C(=O)c1cccc(N2CCNC(c3ccc(Cl)c(Cl)c3)C2)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C21H19Cl2N5O.3H2/c22-15-7-6-13(11-16(15)23)18-12-28(10-9-25-18)19-5-1-4-17(27-19)20(29)14-3-2-8-26-21(14)24;;;/h1-8,11,18,25H,9-10,12H2,(H2,24,26);3*1H
InChIKeyOFOCFWJFYQTEQP-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.49
Rot. Bonds4

About (2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 159979319) has the molecular formula C21H25Cl2N5O and a molecular weight of 434.37 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
PubChem CID159979319
Molecular FormulaC21H25Cl2N5O
Molecular Weight434.37 g/mol
Exact Mass433.14
IUPAC Name(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESNc1ncccc1C(=O)c1cccc(N2CCNC(c3ccc(Cl)c(Cl)c3)C2)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C21H19Cl2N5O.3H2/c22-15-7-6-13(11-16(15)23)18-12-28(10-9-25-18)19-5-1-4-17(27-19)20(29)14-3-2-8-26-21(14)24;;;/h1-8,11,18,25H,9-10,12H2,(H2,24,26);3*1H
InChIKeyOFOCFWJFYQTEQP-UHFFFAOYSA-N
XLogP4.49
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (CID 159979319) is (2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is Nc1ncccc1C(=O)c1cccc(N2CCNC(c3ccc(Cl)c(Cl)c3)C2)n1.[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is OFOCFWJFYQTEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O.3H2/c22-15-7-6-13(11-16(15)23)18-12-28(10-9-25-18)19-5-1-4-17(27-19)20(29)14-3-2-8-26-21(14)24;;;/h1-8,11,18,25H,9-10,12H2,(H2,24,26);3*1H.
What are the key properties of (2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 434.37 g/mol, XLogP of 4.49, 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-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 159979319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).