[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone

C21H26N6O2 — CID 134790815

IUPAC[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2nnc3n2C(C(=O)N2CCCC2)CC3)CC1
InChIInChI=1S/C21H26N6O2/c28-20(16-4-3-9-22-14-16)26-12-7-15(8-13-26)19-24-23-18-6-5-17(27(18)19)21(29)25-10-1-2-11-25/h3-4,9,14-15,17H,1-2,5-8,10-13H2
InChIKeyABINMDXFHNMTGQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.80
Rot. Bonds3

About [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone

[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134790815) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID134790815
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2nnc3n2C(C(=O)N2CCCC2)CC3)CC1
InChIInChI=1S/C21H26N6O2/c28-20(16-4-3-9-22-14-16)26-12-7-15(8-13-26)19-24-23-18-6-5-17(27(18)19)21(29)25-10-1-2-11-25/h3-4,9,14-15,17H,1-2,5-8,10-13H2
InChIKeyABINMDXFHNMTGQ-UHFFFAOYSA-N
XLogP1.80
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 70710150
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018368
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289978
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
(3,4-difluorophenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798837
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
2-(2-chlorophenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798857

Frequently Asked Questions

What is the IUPAC name of [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone (CID 134790815) is [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cccnc1)N1CCC(c2nnc3n2C(C(=O)N2CCCC2)CC3)CC1.
What is the InChIKey of [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ABINMDXFHNMTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c28-20(16-4-3-9-22-14-16)26-12-7-15(8-13-26)19-24-23-18-6-5-17(27(18)19)21(29)25-10-1-2-11-25/h3-4,9,14-15,17H,1-2,5-8,10-13H2.
What are the key properties of [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 394.48 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134790815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).