3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide

C17H21N3O — CID 91760968

IUPAC3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(N(C)C)c2)cn1
InChIInChI=1S/C17H21N3O/c1-12-8-9-15(11-18-12)13(2)19-17(21)14-6-5-7-16(10-14)20(3)4/h5-11,13H,1-4H3,(H,19,21)
InChIKeyGQMVWWGWBCDTPU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.95
Rot. Bonds4

About 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide

3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide (PubChem CID 91760968) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
PubChem CID91760968
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(N(C)C)c2)cn1
InChIInChI=1S/C17H21N3O/c1-12-8-9-15(11-18-12)13(2)19-17(21)14-6-5-7-16(10-14)20(3)4/h5-11,13H,1-4H3,(H,19,21)
InChIKeyGQMVWWGWBCDTPU-UHFFFAOYSA-N
XLogP2.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 37354866
3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473260
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 51177608
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
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N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497
3-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 112766095
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide
CID 110664187
3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 126452473
3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
CID 105146180

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide (CID 91760968) is 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cccc(N(C)C)c2)cn1.
What is the InChIKey of 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The InChIKey is GQMVWWGWBCDTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-8-9-15(11-18-12)13(2)19-17(21)14-6-5-7-16(10-14)20(3)4/h5-11,13H,1-4H3,(H,19,21).
What are the key properties of 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide has a molecular weight of 283.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 91760968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).