3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide

C20H25N3O — CID 53150002

IUPAC3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(N3CCCCCC3)nc2)c1
InChIInChI=1S/C20H25N3O/c1-22(2)20(24)17-9-7-8-16(14-17)18-10-11-19(21-15-18)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13H2,1-2H3
InChIKeyMNHPQPSVGDKKFG-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.83
Rot. Bonds3

About 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide

3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 53150002) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
PubChem CID53150002
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(N3CCCCCC3)nc2)c1
InChIInChI=1S/C20H25N3O/c1-22(2)20(24)17-9-7-8-16(14-17)18-10-11-19(21-15-18)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13H2,1-2H3
InChIKeyMNHPQPSVGDKKFG-UHFFFAOYSA-N
XLogP3.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 58006679
N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 53150001
N,N-dimethyl-3-[2-[[N'-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111668806
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 55988850
N-(4-hydroxyphenyl)-N-methyl-6-piperidin-1-ylpyridine-3-carboxamide
CID 84570217
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
1-[4-[5-(3-methylsulfanylphenyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 167219049
N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 143229412
formic acid;N-methyl-N-(1-methylpyrrolidin-3-yl)-3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide
CID 154911031
3-[2-[[N-ethyl-N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669536

Frequently Asked Questions

What is the IUPAC name of 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide (CID 53150002) is 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccc(N3CCCCCC3)nc2)c1.
What is the InChIKey of 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is MNHPQPSVGDKKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(2)20(24)17-9-7-8-16(14-17)18-10-11-19(21-15-18)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13H2,1-2H3.
What are the key properties of 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 323.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 53150002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).