(2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone

C102H110N20O5 — CID 158325114

IUPAC(2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone
SMILESC/C=C/c1ccc(N2CCCCC2)nc1C(=O)c1cccnc1N.C/C=C\c1ccc(N2CCCCC2)nc1C(=O)c1cccnc1N.CC#Cc1ccc(N2CCCCC2)nc1C(=O)c1cccnc1N.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1-c1ccccc1.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1Cc1ccccc1
InChIInChI=1S/C23H24N4O.C22H22N4O.2C19H22N4O.C19H20N4O/c24-23-19(10-7-13-25-23)22(28)21-18(16-17-8-3-1-4-9-17)11-12-20(26-21)27-14-5-2-6-15-27;23-22-18(10-7-13-24-22)21(27)20-17(16-8-3-1-4-9-16)11-12-19(25-20)26-14-5-2-6-15-26;3*1-2-7-14-9-10-16(23-12-4-3-5-13-23)22-17(14)18(24)15-8-6-11-21-19(15)20/h1,3-4,7-13H,2,5-6,14-16H2,(H2,24,25);1,3-4,7-13H,2,5-6,14-15H2,(H2,23,24);2*2,6-11H,3-5,12-13H2,1H3,(H2,20,21);6,8-11H,3-5,12-13H2,1H3,(H2,20,21)/b;;7-2+;7-2-;
InChIKeyGPHSTJARGHJTFQ-KLMBDUGQSA-N
MW1696.14 g/mol
LogP17.10
Rot. Bonds20

About (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone

(2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone (PubChem CID 158325114) has the molecular formula C102H110N20O5 and a molecular weight of 1696.14 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone
PubChem CID158325114
Molecular FormulaC102H110N20O5
Molecular Weight1696.14 g/mol
Exact Mass1694.90
IUPAC Name(2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone
SMILESC/C=C/c1ccc(N2CCCCC2)nc1C(=O)c1cccnc1N.C/C=C\c1ccc(N2CCCCC2)nc1C(=O)c1cccnc1N.CC#Cc1ccc(N2CCCCC2)nc1C(=O)c1cccnc1N.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1-c1ccccc1.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1Cc1ccccc1
InChIInChI=1S/C23H24N4O.C22H22N4O.2C19H22N4O.C19H20N4O/c24-23-19(10-7-13-25-23)22(28)21-18(16-17-8-3-1-4-9-17)11-12-20(26-21)27-14-5-2-6-15-27;23-22-18(10-7-13-24-22)21(27)20-17(16-8-3-1-4-9-16)11-12-19(25-20)26-14-5-2-6-15-26;3*1-2-7-14-9-10-16(23-12-4-3-5-13-23)22-17(14)18(24)15-8-6-11-21-19(15)20/h1,3-4,7-13H,2,5-6,14-16H2,(H2,24,25);1,3-4,7-13H,2,5-6,14-15H2,(H2,23,24);2*2,6-11H,3-5,12-13H2,1H3,(H2,20,21);6,8-11H,3-5,12-13H2,1H3,(H2,20,21)/b;;7-2+;7-2-;
InChIKeyGPHSTJARGHJTFQ-KLMBDUGQSA-N
XLogP17.10
TPSA360.55 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.14
LogP ≤ 517.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone?
The IUPAC name of (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone (CID 158325114) is (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone is C/C=C/c1ccc(N2CCCCC2)nc1C(=O)c1cccnc1N.C/C=C\c1ccc(N2CCCCC2)nc1C(=O)c1cccnc1N.CC#Cc1ccc(N2CCCCC2)nc1C(=O)c1cccnc1N.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1-c1ccccc1.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1Cc1ccccc1.
What is the InChIKey of (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone?
The InChIKey is GPHSTJARGHJTFQ-KLMBDUGQSA-N. The full InChI is InChI=1S/C23H24N4O.C22H22N4O.2C19H22N4O.C19H20N4O/c24-23-19(10-7-13-25-23)22(28)21-18(16-17-8-3-1-4-9-17)11-12-20(26-21)27-14-5-2-6-15-27;23-22-18(10-7-13-24-22)21(27)20-17(16-8-3-1-4-9-16)11-12-19(25-20)26-14-5-2-6-15-26;3*1-2-7-14-9-10-16(23-12-4-3-5-13-23)22-17(14)18(24)15-8-6-11-21-19(15)20/h1,3-4,7-13H,2,5-6,14-16H2,(H2,24,25);1,3-4,7-13H,2,5-6,14-15H2,(H2,23,24);2*2,6-11H,3-5,12-13H2,1H3,(H2,20,21);6,8-11H,3-5,12-13H2,1H3,(H2,20,21)/b;;7-2+;7-2-;.
What are the key properties of (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone?
(2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone has a molecular weight of 1696.14 g/mol, XLogP of 17.10, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(3-benzyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(6-piperidin-1-yl-3-prop-1-ynyl-2-pyridinyl)methanone is sourced from PubChem (CID 158325114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).