(5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide

C20H22FN3O — CID 169176083

IUPAC(5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1cc(F)c(NC(=O)N2C3CC(C)C[C@@H]2C3)cc1-c1ccccn1
InChIInChI=1S/C20H22FN3O/c1-12-7-14-10-15(8-12)24(14)20(25)23-19-11-16(13(2)9-17(19)21)18-5-3-4-6-22-18/h3-6,9,11-12,14-15H,7-8,10H2,1-2H3,(H,23,25)/t12?,14-,15?/m1/s1
InChIKeyLZHSLADUMQXLOZ-HNFVBEJKSA-N
MW339.41 g/mol
LogP4.60
Rot. Bonds2

About (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide

(5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 169176083) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID169176083
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name(5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1cc(F)c(NC(=O)N2C3CC(C)C[C@@H]2C3)cc1-c1ccccn1
InChIInChI=1S/C20H22FN3O/c1-12-7-14-10-15(8-12)24(14)20(25)23-19-11-16(13(2)9-17(19)21)18-5-3-4-6-22-18/h3-6,9,11-12,14-15H,7-8,10H2,1-2H3,(H,23,25)/t12?,14-,15?/m1/s1
InChIKeyLZHSLADUMQXLOZ-HNFVBEJKSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 169176083) is (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide is Cc1cc(F)c(NC(=O)N2C3CC(C)C[C@@H]2C3)cc1-c1ccccn1.
What is the InChIKey of (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is LZHSLADUMQXLOZ-HNFVBEJKSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-12-7-14-10-15(8-12)24(14)20(25)23-19-11-16(13(2)9-17(19)21)18-5-3-4-6-22-18/h3-6,9,11-12,14-15H,7-8,10H2,1-2H3,(H,23,25)/t12?,14-,15?/m1/s1.
What are the key properties of (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
(5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-fluoro-4-methyl-5-pyridin-2-ylphenyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 169176083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).