2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide

C23H29N5O2 — CID 26279225

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc(C)n(CC(=O)N(Cc2ccncc2)Cc2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C23H29N5O2/c1-17(2)16-30-22-7-5-20(6-8-22)13-27(14-21-9-11-24-12-10-21)23(29)15-28-19(4)25-18(3)26-28/h5-12,17H,13-16H2,1-4H3
InChIKeyHNCDOWFWPIGZFB-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.55
Rot. Bonds9

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 26279225) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID26279225
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc(C)n(CC(=O)N(Cc2ccncc2)Cc2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C23H29N5O2/c1-17(2)16-30-22-7-5-20(6-8-22)13-27(14-21-9-11-24-12-10-21)23(29)15-28-19(4)25-18(3)26-28/h5-12,17H,13-16H2,1-4H3
InChIKeyHNCDOWFWPIGZFB-UHFFFAOYSA-N
XLogP3.55
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-(5-Ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278485
1-[5-[4-(2-Ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278489
5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one
CID 24996322
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
CID 4313559
N-isopropyl-2-(4-propylphenoxy)-N-((3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 56945245
1-[3-Methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278484
1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
CID 155563861
N-(4-methoxybenzyl)-1-(3-methylbutanoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine
CID 3360319
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one
CID 4007214
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 5129485
1-[3-Methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278487
1-[3-Methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278488

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide (CID 26279225) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide is Cc1nc(C)n(CC(=O)N(Cc2ccncc2)Cc2ccc(OCC(C)C)cc2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is HNCDOWFWPIGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-17(2)16-30-22-7-5-20(6-8-22)13-27(14-21-9-11-24-12-10-21)23(29)15-28-19(4)25-18(3)26-28/h5-12,17H,13-16H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 407.52 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 26279225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).