2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide

C15H19N3O3 — CID 99873612

IUPAC2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC[C@@H](O)c1cccn1C
InChIInChI=1S/C15H19N3O3/c1-3-21-15-11(6-4-8-16-15)14(20)17-10-13(19)12-7-5-9-18(12)2/h4-9,13,19H,3,10H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyFJRJGBGXINASDE-CYBMUJFWSA-N
MW289.34 g/mol
LogP1.28
Rot. Bonds6

About 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide

2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 99873612) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID99873612
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC[C@@H](O)c1cccn1C
InChIInChI=1S/C15H19N3O3/c1-3-21-15-11(6-4-8-16-15)14(20)17-10-13(19)12-7-5-9-18(12)2/h4-9,13,19H,3,10H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyFJRJGBGXINASDE-CYBMUJFWSA-N
XLogP1.28
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 95982468
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 90496212
4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 75446980
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
CID 90496202
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide
CID 111451178
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 27848565
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426
2-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 39561652
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide (CID 99873612) is 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NC[C@@H](O)c1cccn1C.
What is the InChIKey of 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is FJRJGBGXINASDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-21-15-11(6-4-8-16-15)14(20)17-10-13(19)12-7-5-9-18(12)2/h4-9,13,19H,3,10H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide?
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 99873612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).