N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide

C14H18FN3O — CID 70497277

IUPACN-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide
SMILESN[C@@]12CCC[C@@](NC(=O)c3ncccc3F)(CC1)C2
InChIInChI=1S/C14H18FN3O/c15-10-3-1-8-17-11(10)12(19)18-14-5-2-4-13(16,9-14)6-7-14/h1,3,8H,2,4-7,9,16H2,(H,18,19)/t13-,14+/m0/s1
InChIKeyYAYXMLRNKGHBMG-UONOGXRCSA-N
MW263.32 g/mol
LogP1.75
Rot. Bonds2

About N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide

N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide (PubChem CID 70497277) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide
PubChem CID70497277
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide
SMILESN[C@@]12CCC[C@@](NC(=O)c3ncccc3F)(CC1)C2
InChIInChI=1S/C14H18FN3O/c15-10-3-1-8-17-11(10)12(19)18-14-5-2-4-13(16,9-14)6-7-14/h1,3,8H,2,4-7,9,16H2,(H,18,19)/t13-,14+/m0/s1
InChIKeyYAYXMLRNKGHBMG-UONOGXRCSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide (CID 70497277) is N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide is N[C@@]12CCC[C@@](NC(=O)c3ncccc3F)(CC1)C2.
What is the InChIKey of N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide?
The InChIKey is YAYXMLRNKGHBMG-UONOGXRCSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-10-3-1-8-17-11(10)12(19)18-14-5-2-4-13(16,9-14)6-7-14/h1,3,8H,2,4-7,9,16H2,(H,18,19)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide?
N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 70497277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).