5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide

C19H18ClN3O4 — CID 129027096

IUPAC5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C19H18ClN3O4/c1-23(2)17(25)12-22-19(26)18-16(24)10-13(11-21-18)4-3-9-27-15-7-5-14(20)6-8-15/h5-8,10-11,24H,9,12H2,1-2H3,(H,22,26)
InChIKeySORMDLQLIKKLFK-UHFFFAOYSA-N
MW387.82 g/mol
LogP1.69
Rot. Bonds5

About 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide

5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 129027096) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
PubChem CID129027096
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C19H18ClN3O4/c1-23(2)17(25)12-22-19(26)18-16(24)10-13(11-21-18)4-3-9-27-15-7-5-14(20)6-8-15/h5-8,10-11,24H,9,12H2,1-2H3,(H,22,26)
InChIKeySORMDLQLIKKLFK-UHFFFAOYSA-N
XLogP1.69
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 129027316
3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide
CID 158007162
2-[[5-[3-(4-formylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027280
N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide
CID 146522303
5-[3-(2,3-dichlorophenoxy)prop-1-ynyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 129027199
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
2-[[5-(4-chlorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134478916
2-[[5-[2-[1-(4-chlorophenoxy)-3-methylcyclohexyl]ethynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 169088434
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
propan-2-yl 2-[[5-[3-(4-cyanophenoxy)prop-1-ynyl]-3-nitrosopyridine-2-carbonyl]amino]acetate
CID 146523005
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide (CID 129027096) is 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide is CN(C)C(=O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)cc2)cc1O.
What is the InChIKey of 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is SORMDLQLIKKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-23(2)17(25)12-22-19(26)18-16(24)10-13(11-21-18)4-3-9-27-15-7-5-14(20)6-8-15/h5-8,10-11,24H,9,12H2,1-2H3,(H,22,26).
What are the key properties of 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 129027096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).