2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide

C17H19N3O4 — CID 51097476

IUPAC2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NCc2cccnc2)c(O)c1
InChIInChI=1S/C17H19N3O4/c1-24-13-4-5-14(15(21)9-13)17(23)19-8-6-16(22)20-11-12-3-2-7-18-10-12/h2-5,7,9-10,21H,6,8,11H2,1H3,(H,19,23)(H,20,22)
InChIKeyHEDJBTAGOFLAJO-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.23
Rot. Bonds7

About 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide

2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide (PubChem CID 51097476) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
PubChem CID51097476
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NCc2cccnc2)c(O)c1
InChIInChI=1S/C17H19N3O4/c1-24-13-4-5-14(15(21)9-13)17(23)19-8-6-16(22)20-11-12-3-2-7-18-10-12/h2-5,7,9-10,21H,6,8,11H2,1H3,(H,19,23)(H,20,22)
InChIKeyHEDJBTAGOFLAJO-UHFFFAOYSA-N
XLogP1.23
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-hydroxy-N-[(3-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 47292166
2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 60612809
1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 113212725
2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 42054101
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
5-[(4-bromophenoxy)methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-2-carboxamide
CID 154857551
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide (CID 51097476) is 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide is COc1ccc(C(=O)NCCC(=O)NCc2cccnc2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The InChIKey is HEDJBTAGOFLAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-24-13-4-5-14(15(21)9-13)17(23)19-8-6-16(22)20-11-12-3-2-7-18-10-12/h2-5,7,9-10,21H,6,8,11H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 51097476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).