4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide

C17H22N6O2 — CID 75479801

IUPAC4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1
InChIInChI=1S/C17H22N6O2/c1-25-15-5-4-13(11-18-15)19-17(24)22-9-6-12(7-10-22)16-21-20-14-3-2-8-23(14)16/h4-5,11-12H,2-3,6-10H2,1H3,(H,19,24)
InChIKeyXHEDSJJHKUSFRK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.04
Rot. Bonds3

About 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide

4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 75479801) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
PubChem CID75479801
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1
InChIInChI=1S/C17H22N6O2/c1-25-15-5-4-13(11-18-15)19-17(24)22-9-6-12(7-10-22)16-21-20-14-3-2-8-23(14)16/h4-5,11-12H,2-3,6-10H2,1H3,(H,19,24)
InChIKeyXHEDSJJHKUSFRK-UHFFFAOYSA-N
XLogP2.04
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
CID 146139780
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741
4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 136577034
(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 94031810
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92594074
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(4-methoxy-2-pyridinyl)pyrrolidine-1-carboxamide
CID 167988896
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 127917847
(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 95273174
(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138699
(2R)-N-(6-methoxy-3-pyridinyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94818646
(2R)-N-(6-methoxy-3-pyridinyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94028395

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide (CID 75479801) is 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1.
What is the InChIKey of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is XHEDSJJHKUSFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-25-15-5-4-13(11-18-15)19-17(24)22-9-6-12(7-10-22)16-21-20-14-3-2-8-23(14)16/h4-5,11-12H,2-3,6-10H2,1H3,(H,19,24).
What are the key properties of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 75479801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).