2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide

C22H29N5O2 — CID 91639625

IUPAC2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
SMILESO=C(CC1(n2cccc2)CCOCC1)NCCCCCc1nnc2ccccn12
InChIInChI=1S/C22H29N5O2/c28-21(18-22(10-16-29-17-11-22)26-13-6-7-14-26)23-12-4-1-2-8-19-24-25-20-9-3-5-15-27(19)20/h3,5-7,9,13-15H,1-2,4,8,10-12,16-18H2,(H,23,28)
InChIKeyOGYVERGRIOKUMK-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.96
Rot. Bonds9

About 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide

2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide (PubChem CID 91639625) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
PubChem CID91639625
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
SMILESO=C(CC1(n2cccc2)CCOCC1)NCCCCCc1nnc2ccccn12
InChIInChI=1S/C22H29N5O2/c28-21(18-22(10-16-29-17-11-22)26-13-6-7-14-26)23-12-4-1-2-8-19-24-25-20-9-3-5-15-27(19)20/h3,5-7,9,13-15H,1-2,4,8,10-12,16-18H2,(H,23,28)
InChIKeyOGYVERGRIOKUMK-UHFFFAOYSA-N
XLogP2.96
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
CID 71708718
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
CID 91641234
2-[1-(pyrrol-1-ylmethyl)cyclohexyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 125432201
4-(4-methylphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxane-4-carboxamide
CID 91947473
2-(4-ethylpiperazin-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131926706
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 124559872
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947680
3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947697
2-thiophen-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131933799
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
2-(4-methylsulfonylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91769600

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
The IUPAC name of 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide (CID 91639625) is 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide.
What is the SMILES notation for 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
The canonical SMILES for 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide is O=C(CC1(n2cccc2)CCOCC1)NCCCCCc1nnc2ccccn12.
What is the InChIKey of 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
The InChIKey is OGYVERGRIOKUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21(18-22(10-16-29-17-11-22)26-13-6-7-14-26)23-12-4-1-2-8-19-24-25-20-9-3-5-15-27(19)20/h3,5-7,9,13-15H,1-2,4,8,10-12,16-18H2,(H,23,28).
What are the key properties of 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrol-1-yloxan-4-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide is sourced from PubChem (CID 91639625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).