N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide

C15H12ClN5O2 — CID 51093159

IUPACN-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C15H12ClN5O2/c16-11-1-4-13(5-2-11)23-15-6-3-12(7-18-15)20-14(22)8-21-10-17-9-19-21/h1-7,9-10H,8H2,(H,20,22)
InChIKeyBJGZEHLPLIWRLN-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.76
Rot. Bonds5

About N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 51093159) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID51093159
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC NameN-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C15H12ClN5O2/c16-11-1-4-13(5-2-11)23-15-6-3-12(7-18-15)20-14(22)8-21-10-17-9-19-21/h1-7,9-10H,8H2,(H,20,22)
InChIKeyBJGZEHLPLIWRLN-UHFFFAOYSA-N
XLogP2.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-chloro-6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 134366643
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71994233
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 126601519
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
CID 71994232
N-[6-(4-chlorophenoxy)-3-pyridinyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60582189
N-[4-(azepan-1-ylmethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 46958365
2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide
CID 166397651
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540621
1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 56805253
3-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 115339379

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 51093159) is N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1ccc(Oc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is BJGZEHLPLIWRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-11-1-4-13(5-2-11)23-15-6-3-12(7-18-15)20-14(22)8-21-10-17-9-19-21/h1-7,9-10H,8H2,(H,20,22).
What are the key properties of N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 329.75 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 51093159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).