N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C16H14ClN5O2 — CID 71994233

IUPACN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)n1cncn1
InChIInChI=1S/C16H14ClN5O2/c1-11(22-10-18-9-20-22)16(23)21-13-3-5-14(6-4-13)24-15-7-2-12(17)8-19-15/h2-11H,1H3,(H,21,23)
InChIKeySVQSHCFGXUNDKD-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.32
Rot. Bonds5

About N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 71994233) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID71994233
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)n1cncn1
InChIInChI=1S/C16H14ClN5O2/c1-11(22-10-18-9-20-22)16(23)21-13-3-5-14(6-4-13)24-15-7-2-12(17)8-19-15/h2-11H,1H3,(H,21,23)
InChIKeySVQSHCFGXUNDKD-UHFFFAOYSA-N
XLogP3.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
CID 120503351
(2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97225492
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
N-[4-[3-(4-chlorophenyl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42959524
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
2-amino-3-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide;dihydrochloride
CID 119848887
N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51093159
2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide
CID 71925015
2,4-dichloro-5-fluoro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46439736
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299
(2S)-N-[4-(2-chlorophenoxy)phenyl]-3-methyl-2-(1,2,4-triazol-1-yl)butanamide
CID 51962425
N-[4-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60530203

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 71994233) is N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)n1cncn1.
What is the InChIKey of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SVQSHCFGXUNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-11(22-10-18-9-20-22)16(23)21-13-3-5-14(6-4-13)24-15-7-2-12(17)8-19-15/h2-11H,1H3,(H,21,23).
What are the key properties of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 343.77 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 71994233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).