4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide

C19H21N5O2 — CID 119055250

IUPAC4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCn1cc(COc2ccccc2)nn1)NCc1cccnc1
InChIInChI=1S/C19H21N5O2/c25-19(21-13-16-6-4-10-20-12-16)9-5-11-24-14-17(22-23-24)15-26-18-7-2-1-3-8-18/h1-4,6-8,10,12,14H,5,9,11,13,15H2,(H,21,25)
InChIKeyTYGFCPOUSZLRMM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.35
Rot. Bonds9

About 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide

4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 119055250) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
PubChem CID119055250
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCn1cc(COc2ccccc2)nn1)NCc1cccnc1
InChIInChI=1S/C19H21N5O2/c25-19(21-13-16-6-4-10-20-12-16)9-5-11-24-14-17(22-23-24)15-26-18-7-2-1-3-8-18/h1-4,6-8,10,12,14H,5,9,11,13,15H2,(H,21,25)
InChIKeyTYGFCPOUSZLRMM-UHFFFAOYSA-N
XLogP2.35
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055260
N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055236
N-butyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055237
(3R,6R)-6-[[4-(phenoxymethyl)triazol-1-yl]methyl]-N-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 44716189
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 112522186
N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide
CID 102109795
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382

Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide (CID 119055250) is 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCn1cc(COc2ccccc2)nn1)NCc1cccnc1.
What is the InChIKey of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is TYGFCPOUSZLRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(21-13-16-6-4-10-20-12-16)9-5-11-24-14-17(22-23-24)15-26-18-7-2-1-3-8-18/h1-4,6-8,10,12,14H,5,9,11,13,15H2,(H,21,25).
What are the key properties of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide?
4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 351.41 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 119055250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).