6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C20H23N3O — CID 169177069

IUPAC6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)N2CC3CC(C)C2C3)cc1-c1ccccn1
InChIInChI=1S/C20H23N3O/c1-13-6-7-16(11-17(13)18-5-3-4-8-21-18)22-20(24)23-12-15-9-14(2)19(23)10-15/h3-8,11,14-15,19H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyBICQKRJVJUUGPV-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.32
Rot. Bonds2

About 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 169177069) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID169177069
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)N2CC3CC(C)C2C3)cc1-c1ccccn1
InChIInChI=1S/C20H23N3O/c1-13-6-7-16(11-17(13)18-5-3-4-8-21-18)22-20(24)23-12-15-9-14(2)19(23)10-15/h3-8,11,14-15,19H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyBICQKRJVJUUGPV-UHFFFAOYSA-N
XLogP4.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 169177069) is 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(NC(=O)N2CC3CC(C)C2C3)cc1-c1ccccn1.
What is the InChIKey of 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BICQKRJVJUUGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-6-7-16(11-17(13)18-5-3-4-8-21-18)22-20(24)23-12-15-9-14(2)19(23)10-15/h3-8,11,14-15,19H,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 169177069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).