4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide

C17H19N3O2 — CID 59607196

IUPAC4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(N(C)C(C)=O)cc1)c1cccnc1
InChIInChI=1S/C17H19N3O2/c1-4-20(16-6-5-11-18-12-16)17(22)14-7-9-15(10-8-14)19(3)13(2)21/h5-12H,4H2,1-3H3
InChIKeyDLBVNUBQMCSHHZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.73
Rot. Bonds4

About 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide

4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide (PubChem CID 59607196) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide
PubChem CID59607196
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(N(C)C(C)=O)cc1)c1cccnc1
InChIInChI=1S/C17H19N3O2/c1-4-20(16-6-5-11-18-12-16)17(22)14-7-9-15(10-8-14)19(3)13(2)21/h5-12H,4H2,1-3H3
InChIKeyDLBVNUBQMCSHHZ-UHFFFAOYSA-N
XLogP2.73
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 46932084
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060938
6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 87158063
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide
CID 59607069
4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 95195499
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
5-chloro-N-ethyl-2-methoxy-N-pyridin-3-ylbenzamide
CID 56827227
N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
CID 103957153

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide (CID 59607196) is 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide is CCN(C(=O)c1ccc(N(C)C(C)=O)cc1)c1cccnc1.
What is the InChIKey of 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide?
The InChIKey is DLBVNUBQMCSHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-20(16-6-5-11-18-12-16)17(22)14-7-9-15(10-8-14)19(3)13(2)21/h5-12H,4H2,1-3H3.
What are the key properties of 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide?
4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide has a molecular weight of 297.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 59607196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).