(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen

C19H26FN5O — CID 160753287

About (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 160753287) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 160753287
• Molecular Formula: C19H26FN5O
• Molecular Weight: 359.45 g/mol
• Exact Mass: 359.21
• IUPAC Name: (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen
• SMILES: C=C(F)c1ccc(N2CC3CCC(C2)N3)nc1C(=O)c1cccnc1N.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H20FN5O.3H2/c1-11(20)14-6-7-16(25-9-12-4-5-13(10-25)23-12)24-17(14)18(26)15-3-2-8-22-19(15)21;;;/h2-3,6-8,12-13,23H,1,4-5,9-10H2,(H2,21,22);3*1H
• InChIKey: RXCHZDDSBRFCBR-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen (CID 160753287) is (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen is C=C(F)c1ccc(N2CC3CCC(C2)N3)nc1C(=O)c1cccnc1N.[H][H].[H][H].[H][H].

What is the InChIKey of (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is RXCHZDDSBRFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O.3H2/c1-11(20)14-6-7-16(25-9-12-4-5-13(10-25)23-12)24-17(14)18(26)15-3-2-8-22-19(15)21;;;/h2-3,6-8,12-13,23H,1,4-5,9-10H2,(H2,21,22);3*1H.

What are the key properties of (2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen?

(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 359.45 g/mol, XLogP of 2.91, 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-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 160753287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).