5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide

C16H14ClN5O3 — CID 175177329

IUPAC5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide
SMILESNC(=O)c1ncc(-c2cn(CCOc3ccc(Cl)cc3)nn2)cc1O
InChIInChI=1S/C16H14ClN5O3/c17-11-1-3-12(4-2-11)25-6-5-22-9-13(20-21-22)10-7-14(23)15(16(18)24)19-8-10/h1-4,7-9,23H,5-6H2,(H2,18,24)
InChIKeySRXRUUPLDNZSHA-UHFFFAOYSA-N
MW359.77 g/mol
LogP1.88
Rot. Bonds6

About 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide

5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 175177329) has the molecular formula C16H14ClN5O3 and a molecular weight of 359.77 g/mol. Its IUPAC name is 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID175177329
Molecular FormulaC16H14ClN5O3
Molecular Weight359.77 g/mol
Exact Mass359.08
IUPAC Name5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide
SMILESNC(=O)c1ncc(-c2cn(CCOc3ccc(Cl)cc3)nn2)cc1O
InChIInChI=1S/C16H14ClN5O3/c17-11-1-3-12(4-2-11)25-6-5-22-9-13(20-21-22)10-7-14(23)15(16(18)24)19-8-10/h1-4,7-9,23H,5-6H2,(H2,18,24)
InChIKeySRXRUUPLDNZSHA-UHFFFAOYSA-N
XLogP1.88
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 62401507
2-[1-[3-(4-chlorophenoxy)propyl]triazol-4-yl]acetic acid
CID 107461470
1-[2-(3-chloro-4-fluorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576753
N-[[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62453031
3-[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]propanoic acid
CID 107460606
4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide
CID 62402229
1-[2-(4-chloro-3-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63576428
1-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanone
CID 53321268
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
1-[2-(3-carbamoylphenoxy)ethyl]triazole-4-carboxylic acid
CID 29082468
1-[2-(4-bromo-3-fluorophenoxy)ethyl]triazole-4-carbohydrazide
CID 65202985
1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide
CID 55214193

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide (CID 175177329) is 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide is NC(=O)c1ncc(-c2cn(CCOc3ccc(Cl)cc3)nn2)cc1O.
What is the InChIKey of 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is SRXRUUPLDNZSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3/c17-11-1-3-12(4-2-11)25-6-5-22-9-13(20-21-22)10-7-14(23)15(16(18)24)19-8-10/h1-4,7-9,23H,5-6H2,(H2,18,24).
What are the key properties of 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide?
5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 175177329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).