3-(dimethylamino)-N-pyridin-3-ylbenzamide

C14H15N3O — CID 23793187

IUPAC3-(dimethylamino)-N-pyridin-3-ylbenzamide
SMILESCN(C)c1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H15N3O/c1-17(2)13-7-3-5-11(9-13)14(18)16-12-6-4-8-15-10-12/h3-10H,1-2H3,(H,16,18)
InChIKeyTUQWVGCCODSNCZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.40
Rot. Bonds3

About 3-(dimethylamino)-N-pyridin-3-ylbenzamide

3-(dimethylamino)-N-pyridin-3-ylbenzamide (PubChem CID 23793187) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(dimethylamino)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-pyridin-3-ylbenzamide
PubChem CID23793187
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(dimethylamino)-N-pyridin-3-ylbenzamide
SMILESCN(C)c1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H15N3O/c1-17(2)13-7-3-5-11(9-13)14(18)16-12-6-4-8-15-10-12/h3-10H,1-2H3,(H,16,18)
InChIKeyTUQWVGCCODSNCZ-UHFFFAOYSA-N
XLogP2.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-(dimethylamino)-N-pyridin-3-ylbenzamide (CID 23793187) is 3-(dimethylamino)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-(dimethylamino)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-(dimethylamino)-N-pyridin-3-ylbenzamide is CN(C)c1cccc(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-pyridin-3-ylbenzamide?
The InChIKey is TUQWVGCCODSNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17(2)13-7-3-5-11(9-13)14(18)16-12-6-4-8-15-10-12/h3-10H,1-2H3,(H,16,18).
What are the key properties of 3-(dimethylamino)-N-pyridin-3-ylbenzamide?
3-(dimethylamino)-N-pyridin-3-ylbenzamide has a molecular weight of 241.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 23793187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).