2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide

C16H17N3O3 — CID 112993143

IUPAC2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NCc1ccncc1
InChIInChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-13(14)16(21)19-11-15(20)18-10-12-6-8-17-9-7-12/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyCCXPEVNDSVJYJN-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.14
Rot. Bonds6

About 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide

2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide (PubChem CID 112993143) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
PubChem CID112993143
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NCc1ccncc1
InChIInChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-13(14)16(21)19-11-15(20)18-10-12-6-8-17-9-7-12/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyCCXPEVNDSVJYJN-UHFFFAOYSA-N
XLogP1.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993686
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[2-[2-(4-ethylbenzoyl)hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601375
2-methoxy-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 42910698
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 3097740

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide (CID 112993143) is 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide is COc1ccccc1C(=O)NCC(=O)NCc1ccncc1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide?
The InChIKey is CCXPEVNDSVJYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-13(14)16(21)19-11-15(20)18-10-12-6-8-17-9-7-12/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide?
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 112993143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).