2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide

C25H32N6O3 — CID 90370530

IUPAC2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCN4CCOCC4)cn3)nn2CC(=O)NC(C)C)c1
InChIInChI=1S/C25H32N6O3/c1-18(2)27-23(32)17-31-25(20-5-4-6-21(15-20)33-3)28-24(29-31)22-8-7-19(16-26-22)9-10-30-11-13-34-14-12-30/h4-8,15-16,18H,9-14,17H2,1-3H3,(H,27,32)
InChIKeyQQXMZSJATOKNLX-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.41
Rot. Bonds9

About 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide

2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370530) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370530
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCN4CCOCC4)cn3)nn2CC(=O)NC(C)C)c1
InChIInChI=1S/C25H32N6O3/c1-18(2)27-23(32)17-31-25(20-5-4-6-21(15-20)33-3)28-24(29-31)22-8-7-19(16-26-22)9-10-30-11-13-34-14-12-30/h4-8,15-16,18H,9-14,17H2,1-3H3,(H,27,32)
InChIKeyQQXMZSJATOKNLX-UHFFFAOYSA-N
XLogP2.41
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138078
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 25138081
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-methylpiperidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide
CID 44589945
2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7711146
6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine
CID 42632682
2-[3-(3-Methoxy-5-methylphenyl)-4-[6-(2-morpholin-4-ylethylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 118726564
2-[3-(3-Methoxy-5-methylphenyl)-4-[6-(3-morpholin-4-ylpropylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 118726565
6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3186332
N-[3-(1H-Imidazol-1-YL)propyl]-N'-{2-[4-(4-methoxyphenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}ethanediamide
CID 16194616
1-Ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 44571746
N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide
CID 155549467
N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
CID 155557483

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide (CID 90370530) is 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc(-c3ccc(CCN4CCOCC4)cn3)nn2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is QQXMZSJATOKNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-18(2)27-23(32)17-31-25(20-5-4-6-21(15-20)33-3)28-24(29-31)22-8-7-19(16-26-22)9-10-30-11-13-34-14-12-30/h4-8,15-16,18H,9-14,17H2,1-3H3,(H,27,32).
What are the key properties of 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide?
2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 464.57 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).