4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine

C16H17N3O2 — CID 174521796

IUPAC4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine
SMILESCNC.NC(=O)c1ccc(C(=O)n2c3ccc2cc3)cc1
InChIInChI=1S/C14H10N2O2.C2H7N/c15-13(17)9-1-3-10(4-2-9)14(18)16-11-5-6-12(16)8-7-11;1-3-2/h1-8H,(H2,15,17);3H,1-2H3
InChIKeyWVTJKJXISBCHJW-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.70
Rot. Bonds2

About 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine

4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine (PubChem CID 174521796) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine
PubChem CID174521796
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine
SMILESCNC.NC(=O)c1ccc(C(=O)n2c3ccc2cc3)cc1
InChIInChI=1S/C14H10N2O2.C2H7N/c15-13(17)9-1-3-10(4-2-9)14(18)16-11-5-6-12(16)8-7-11;1-3-2/h1-8H,(H2,15,17);3H,1-2H3
InChIKeyWVTJKJXISBCHJW-UHFFFAOYSA-N
XLogP1.70
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine?
The IUPAC name of 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine (CID 174521796) is 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine is CNC.NC(=O)c1ccc(C(=O)n2c3ccc2cc3)cc1.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine?
The InChIKey is WVTJKJXISBCHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2.C2H7N/c15-13(17)9-1-3-10(4-2-9)14(18)16-11-5-6-12(16)8-7-11;1-3-2/h1-8H,(H2,15,17);3H,1-2H3.
What are the key properties of 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine?
4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine has a molecular weight of 283.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine is sourced from PubChem (CID 174521796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).