(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

C20H26N6O — CID 160845215

IUPAC(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
SMILESNc1ncccc1C(=O)c1cccc(N2CCNC(c3cccnc3)C2)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C20H20N6O.3H2/c21-20-15(5-3-9-24-20)19(27)16-6-1-7-18(25-16)26-11-10-23-17(13-26)14-4-2-8-22-12-14;;;/h1-9,12,17,23H,10-11,13H2,(H2,21,24);3*1H
InChIKeySIOAMOUSMFCOOL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.57
Rot. Bonds4

About (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 160845215) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID160845215
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
SMILESNc1ncccc1C(=O)c1cccc(N2CCNC(c3cccnc3)C2)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C20H20N6O.3H2/c21-20-15(5-3-9-24-20)19(27)16-6-1-7-18(25-16)26-11-10-23-17(13-26)14-4-2-8-22-12-14;;;/h1-9,12,17,23H,10-11,13H2,(H2,21,24);3*1H
InChIKeySIOAMOUSMFCOOL-UHFFFAOYSA-N
XLogP2.57
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(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
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24992175
(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995354
(2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 157450285
[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160802202
[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 161243728
[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]-pyridin-3-ylmethanone
CID 90324959
(2-amino-3-pyridinyl)-[6-(2-methyl-5-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24996951

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 160845215) is (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is Nc1ncccc1C(=O)c1cccc(N2CCNC(c3cccnc3)C2)n1.[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is SIOAMOUSMFCOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.3H2/c21-20-15(5-3-9-24-20)19(27)16-6-1-7-18(25-16)26-11-10-23-17(13-26)14-4-2-8-22-12-14;;;/h1-9,12,17,23H,10-11,13H2,(H2,21,24);3*1H.
What are the key properties of (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 366.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 160845215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).