3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide

C17H19N3O4 — CID 2108129

IUPAC3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H19N3O4/c1-23-14-7-12(8-15(9-14)24-2)17(22)20-11-16(21)19-10-13-5-3-4-6-18-13/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZPWAODWLTPPYBZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.14
Rot. Bonds7

About 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide

3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide (PubChem CID 2108129) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
PubChem CID2108129
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H19N3O4/c1-23-14-7-12(8-15(9-14)24-2)17(22)20-11-16(21)19-10-13-5-3-4-6-18-13/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZPWAODWLTPPYBZ-UHFFFAOYSA-N
XLogP1.14
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11739408
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
ROCK inhibitor-2
CID 51003130
N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 6498566
2,6-dimethoxy-N-pyridin-4-ylbenzamide
CID 825634
3,5-dimethoxy-N-(8-quinolinyl)benzamide
CID 835394
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
3,4,5-trimethoxy-N-3-pyridylbenzamide
CID 678080
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
N'-(3,5-dimethoxybenzoyl)pyridine-4-carbohydrazide
CID 773379

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide (CID 2108129) is 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCC(=O)NCc2ccccn2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
The InChIKey is ZPWAODWLTPPYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-14-7-12(8-15(9-14)24-2)17(22)20-11-16(21)19-10-13-5-3-4-6-18-13/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 2108129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).