2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

C22H19N5O2 — CID 166195901

IUPAC2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(Cc1cccc(OCc2cccnc2)c1)Nc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C22H19N5O2/c28-21(26-19-8-6-18(7-9-19)22-24-15-25-27-22)12-16-3-1-5-20(11-16)29-14-17-4-2-10-23-13-17/h1-11,13,15H,12,14H2,(H,26,28)(H,24,25,27)
InChIKeyZZTPLIDYCPDOGX-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.63
Rot. Bonds7

About 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (PubChem CID 166195901) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
PubChem CID166195901
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(Cc1cccc(OCc2cccnc2)c1)Nc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C22H19N5O2/c28-21(26-19-8-6-18(7-9-19)22-24-15-25-27-22)12-16-3-1-5-20(11-16)29-14-17-4-2-10-23-13-17/h1-11,13,15H,12,14H2,(H,26,28)(H,24,25,27)
InChIKeyZZTPLIDYCPDOGX-UHFFFAOYSA-N
XLogP3.63
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55771402
3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56787185
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
N-naphthalen-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 71939692
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 111536786
2-[2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526650
3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid
CID 120531886
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119846187
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (CID 166195901) is 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is O=C(Cc1cccc(OCc2cccnc2)c1)Nc1ccc(-c2ncn[nH]2)cc1.
What is the InChIKey of 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The InChIKey is ZZTPLIDYCPDOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-21(26-19-8-6-18(7-9-19)22-24-15-25-27-22)12-16-3-1-5-20(11-16)29-14-17-4-2-10-23-13-17/h1-11,13,15H,12,14H2,(H,26,28)(H,24,25,27).
What are the key properties of 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-3-ylmethoxy)phenyl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 166195901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).