3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide

C19H21N5O2 — CID 55720357

IUPAC3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C19H21N5O2/c1-2-26-17-8-4-3-6-15(17)9-10-18(25)22-12-16-7-5-11-21-19(16)24-14-20-13-23-24/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,22,25)
InChIKeyJBWIOQXXMOWGOE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.31
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide

3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 55720357) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID55720357
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C19H21N5O2/c1-2-26-17-8-4-3-6-15(17)9-10-18(25)22-12-16-7-5-11-21-19(16)24-14-20-13-23-24/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,22,25)
InChIKeyJBWIOQXXMOWGOE-UHFFFAOYSA-N
XLogP2.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 50973850
3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720222
3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 55720204
1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55744071
1-[(2,5-dimethoxyphenyl)methyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55747504
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720237
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036755
(3S)-3-cyclohexyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 95310400

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide (CID 55720357) is 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide is CCOc1ccccc1CCC(=O)NCc1cccnc1-n1cncn1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is JBWIOQXXMOWGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-26-17-8-4-3-6-15(17)9-10-18(25)22-12-16-7-5-11-21-19(16)24-14-20-13-23-24/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,22,25).
What are the key properties of 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55720357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).