6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

C15H15ClN2O3 — CID 111115461

IUPAC6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-5-2-4-10(8-11)13(19)9-17-15(20)12-6-3-7-14(16)18-12/h2-8,13,19H,9H2,1H3,(H,17,20)
InChIKeyAVZFUIGWSMRDJC-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.21
Rot. Bonds5

About 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 111115461) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID111115461
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-5-2-4-10(8-11)13(19)9-17-15(20)12-6-3-7-14(16)18-12/h2-8,13,19H,9H2,1H3,(H,17,20)
InChIKeyAVZFUIGWSMRDJC-UHFFFAOYSA-N
XLogP2.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119765496
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119765495
2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111115525
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 111115498
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111477467
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
CID 111427450
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 111115461) is 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1cccc(C(O)CNC(=O)c2cccc(Cl)n2)c1.
What is the InChIKey of 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is AVZFUIGWSMRDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-11-5-2-4-10(8-11)13(19)9-17-15(20)12-6-3-7-14(16)18-12/h2-8,13,19H,9H2,1H3,(H,17,20).
What are the key properties of 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 111115461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).