6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide

C20H22FN3O — CID 59743759

IUPAC6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide
SMILESCCCN1C[C@@H]2C(NC(=O)c3ccc(-c4cccc(F)c4)nc3)[C@@H]2C1
InChIInChI=1S/C20H22FN3O/c1-2-8-24-11-16-17(12-24)19(16)23-20(25)14-6-7-18(22-10-14)13-4-3-5-15(21)9-13/h3-7,9-10,16-17,19H,2,8,11-12H2,1H3,(H,23,25)/t16-,17+,19?
InChIKeyJFQPXMWEYMJJTM-JJTKIYQPSA-N
MW339.41 g/mol
LogP2.96
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide (PubChem CID 59743759) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide
PubChem CID59743759
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide
SMILESCCCN1C[C@@H]2C(NC(=O)c3ccc(-c4cccc(F)c4)nc3)[C@@H]2C1
InChIInChI=1S/C20H22FN3O/c1-2-8-24-11-16-17(12-24)19(16)23-20(25)14-6-7-18(22-10-14)13-4-3-5-15(21)9-13/h3-7,9-10,16-17,19H,2,8,11-12H2,1H3,(H,23,25)/t16-,17+,19?
InChIKeyJFQPXMWEYMJJTM-JJTKIYQPSA-N
XLogP2.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide (CID 59743759) is 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide is CCCN1C[C@@H]2C(NC(=O)c3ccc(-c4cccc(F)c4)nc3)[C@@H]2C1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide?
The InChIKey is JFQPXMWEYMJJTM-JJTKIYQPSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-2-8-24-11-16-17(12-24)19(16)23-20(25)14-6-7-18(22-10-14)13-4-3-5-15(21)9-13/h3-7,9-10,16-17,19H,2,8,11-12H2,1H3,(H,23,25)/t16-,17+,19?.
What are the key properties of 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59743759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).