N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide

C16H20FN3O2 — CID 131656212

IUPACN-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1CC2CCC1N2C(=O)c1ccncc1F
InChIInChI=1S/C16H20FN3O2/c1-9(2)15(21)19-13-7-10-3-4-14(13)20(10)16(22)11-5-6-18-8-12(11)17/h5-6,8-10,13-14H,3-4,7H2,1-2H3,(H,19,21)/t10?,13-,14?/m1/s1
InChIKeyWFMJUECRBQWWFG-IWXRYERYSA-N
MW305.35 g/mol
LogP1.74
Rot. Bonds3

About N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide

N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide (PubChem CID 131656212) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide
PubChem CID131656212
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1CC2CCC1N2C(=O)c1ccncc1F
InChIInChI=1S/C16H20FN3O2/c1-9(2)15(21)19-13-7-10-3-4-14(13)20(10)16(22)11-5-6-18-8-12(11)17/h5-6,8-10,13-14H,3-4,7H2,1-2H3,(H,19,21)/t10?,13-,14?/m1/s1
InChIKeyWFMJUECRBQWWFG-IWXRYERYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide (CID 131656212) is N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H]1CC2CCC1N2C(=O)c1ccncc1F.
What is the InChIKey of N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide?
The InChIKey is WFMJUECRBQWWFG-IWXRYERYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-9(2)15(21)19-13-7-10-3-4-14(13)20(10)16(22)11-5-6-18-8-12(11)17/h5-6,8-10,13-14H,3-4,7H2,1-2H3,(H,19,21)/t10?,13-,14?/m1/s1.
What are the key properties of N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide?
N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide has a molecular weight of 305.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-7-(3-fluoropyridine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 131656212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).