3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide

C17H19N3O3 — CID 56823273

IUPAC3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
SMILESCCOc1cccc(C(=O)NCCC(=O)Nc2ccncc2)c1
InChIInChI=1S/C17H19N3O3/c1-2-23-15-5-3-4-13(12-15)17(22)19-11-8-16(21)20-14-6-9-18-10-7-14/h3-7,9-10,12H,2,8,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyYYLIHQGLKLNSKI-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.24
Rot. Bonds7

About 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide

3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide (PubChem CID 56823273) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
PubChem CID56823273
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
SMILESCCOc1cccc(C(=O)NCCC(=O)Nc2ccncc2)c1
InChIInChI=1S/C17H19N3O3/c1-2-23-15-5-3-4-13(12-15)17(22)19-11-8-16(21)20-14-6-9-18-10-7-14/h3-7,9-10,12H,2,8,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyYYLIHQGLKLNSKI-UHFFFAOYSA-N
XLogP2.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide
CID 17248960
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
4-chloro-3-[2-(4-chlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052361
3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052368
3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
3-[2-(5-chloropyridin-2-yl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052373
3-[2-(4-aminophenyl)ethoxy]-4-chloro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052453
4-chloro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052493
3-[2-(2,4-dichlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396199
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methyl-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396230

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
The IUPAC name of 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide (CID 56823273) is 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide is CCOc1cccc(C(=O)NCCC(=O)Nc2ccncc2)c1.
What is the InChIKey of 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
The InChIKey is YYLIHQGLKLNSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-23-15-5-3-4-13(12-15)17(22)19-11-8-16(21)20-14-6-9-18-10-7-14/h3-7,9-10,12H,2,8,11H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide is sourced from PubChem (CID 56823273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).