5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide

C19H16Cl2N2O3 — CID 129027199

IUPAC5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(C)CNC(=O)c1ncc(C#CCOc2cccc(Cl)c2Cl)cc1O
InChIInChI=1S/C19H16Cl2N2O3/c1-12(2)10-23-19(25)18-15(24)9-13(11-22-18)5-4-8-26-16-7-3-6-14(20)17(16)21/h3,6-7,9,11,24H,1,8,10H2,2H3,(H,23,25)
InChIKeyOOVWEYSZAYFKEQ-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.83
Rot. Bonds5

About 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide

5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide (PubChem CID 129027199) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
PubChem CID129027199
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(C)CNC(=O)c1ncc(C#CCOc2cccc(Cl)c2Cl)cc1O
InChIInChI=1S/C19H16Cl2N2O3/c1-12(2)10-23-19(25)18-15(24)9-13(11-22-18)5-4-8-26-16-7-3-6-14(20)17(16)21/h3,6-7,9,11,24H,1,8,10H2,2H3,(H,23,25)
InChIKeyOOVWEYSZAYFKEQ-UHFFFAOYSA-N
XLogP3.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027272
2-[[3-hydroxy-5-[3-[2-(trifluoromethyl)phenoxy]prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 162646726
3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide
CID 158007162
5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 129027096
2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 129027316
N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide
CID 146522303
2-[[5-[3-(4-formylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027280
methyl 2-[[5-(2-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 24891581
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360
N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide
CID 11358491
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
The IUPAC name of 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide (CID 129027199) is 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide is C=C(C)CNC(=O)c1ncc(C#CCOc2cccc(Cl)c2Cl)cc1O.
What is the InChIKey of 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
The InChIKey is OOVWEYSZAYFKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-12(2)10-23-19(25)18-15(24)9-13(11-22-18)5-4-8-26-16-7-3-6-14(20)17(16)21/h3,6-7,9,11,24H,1,8,10H2,2H3,(H,23,25).
What are the key properties of 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide is sourced from PubChem (CID 129027199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).