5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide

C18H21N3O4 — CID 59689091

IUPAC5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(N)=O)c(NC(C)CO)c2)cc1C(C)=O
InChIInChI=1S/C18H21N3O4/c1-10(9-22)21-15-7-13(8-20-17(15)18(19)24)12-4-5-16(25-3)14(6-12)11(2)23/h4-8,10,21-22H,9H2,1-3H3,(H2,19,24)
InChIKeyUITWQQBJWDXFOE-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.85
Rot. Bonds7

About 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide

5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide (PubChem CID 59689091) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide
PubChem CID59689091
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(N)=O)c(NC(C)CO)c2)cc1C(C)=O
InChIInChI=1S/C18H21N3O4/c1-10(9-22)21-15-7-13(8-20-17(15)18(19)24)12-4-5-16(25-3)14(6-12)11(2)23/h4-8,10,21-22H,9H2,1-3H3,(H2,19,24)
InChIKeyUITWQQBJWDXFOE-UHFFFAOYSA-N
XLogP1.85
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Hydroxyethylamine-based inhibitor 16d
CID 6539270
3-(4-hydroxyphenyl)-N-(6-methoxypyridin-3-yl)benzamide
CID 2463899
2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide
CID 2470424
2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
CID 4881343
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
US10689357, Example 18
CID 146249076
Hydroxyethylamine-based inhibitor 17d
CID 6539271
N-[3-[(2-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2985717
2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
CID 4786000
Pyrazine-2-carboxylic acid [3-(2-methoxy-benzoylamino)-propyl]-amide
CID 6498590
N-{2-[(2-methoxybenzoyl)amino]ethyl}-6-methylnicotinamide
CID 6498622
N-[3-(2-Methoxy-3-methyl-benzoylamino)-propyl]-6-methyl-nicotinamide
CID 6498672

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide (CID 59689091) is 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide is COc1ccc(-c2cnc(C(N)=O)c(NC(C)CO)c2)cc1C(C)=O.
What is the InChIKey of 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is UITWQQBJWDXFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10(9-22)21-15-7-13(8-20-17(15)18(19)24)12-4-5-16(25-3)14(6-12)11(2)23/h4-8,10,21-22H,9H2,1-3H3,(H2,19,24).
What are the key properties of 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide?
5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetyl-4-methoxyphenyl)-3-(1-hydroxypropan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 59689091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).