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

C15H17F2N3O2 — CID 70498382

IUPACN-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide
SMILESNC(=O)[C@@]12CCC[C@@](NC(=O)c3ncc(F)cc3F)(CC1)C2
InChIInChI=1S/C15H17F2N3O2/c16-9-6-10(17)11(19-7-9)12(21)20-15-3-1-2-14(8-15,4-5-15)13(18)22/h6-7H,1-5,8H2,(H2,18,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyMIEBXOURIOYQEC-LSDHHAIUSA-N
MW309.32 g/mol
LogP1.67
Rot. Bonds3

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

N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 70498382) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide
PubChem CID70498382
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide
SMILESNC(=O)[C@@]12CCC[C@@](NC(=O)c3ncc(F)cc3F)(CC1)C2
InChIInChI=1S/C15H17F2N3O2/c16-9-6-10(17)11(19-7-9)12(21)20-15-3-1-2-14(8-15,4-5-15)13(18)22/h6-7H,1-5,8H2,(H2,18,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyMIEBXOURIOYQEC-LSDHHAIUSA-N
XLogP1.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.67
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-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide (CID 70498382) is N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide is NC(=O)[C@@]12CCC[C@@](NC(=O)c3ncc(F)cc3F)(CC1)C2.
What is the InChIKey of N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is MIEBXOURIOYQEC-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c16-9-6-10(17)11(19-7-9)12(21)20-15-3-1-2-14(8-15,4-5-15)13(18)22/h6-7H,1-5,8H2,(H2,18,22)(H,20,21)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide?
N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 70498382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).