2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile

C18H16N6O — CID 100755900

IUPAC2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1
InChIInChI=1S/C18H16N6O/c19-11-13-6-7-20-15(10-13)18(25)23-8-3-4-14(12-23)17-22-21-16-5-1-2-9-24(16)17/h1-2,5-7,9-10,14H,3-4,8,12H2/t14-/m1/s1
InChIKeyCZQXSFZTNZTJIW-CQSZACIVSA-N
MW332.37 g/mol
LogP2.02
Rot. Bonds2

About 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile

2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile (PubChem CID 100755900) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile
PubChem CID100755900
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1
InChIInChI=1S/C18H16N6O/c19-11-13-6-7-20-15(10-13)18(25)23-8-3-4-14(12-23)17-22-21-16-5-1-2-9-24(16)17/h1-2,5-7,9-10,14H,3-4,8,12H2/t14-/m1/s1
InChIKeyCZQXSFZTNZTJIW-CQSZACIVSA-N
XLogP2.02
TPSA87.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile with MolForge

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Related Compounds

(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51926476
(3-aminophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119837128
2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one
CID 155957334
1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 125175514
[4-(oxolan-2-ylmethoxy)phenyl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42940692
[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51931513
propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
CID 126823598
[2-(difluoromethoxy)phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51929159
2,3-dihydro-1-benzofuran-5-yl-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 47024138
1-ethyl-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 125171730
pyrazin-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897297

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile (CID 100755900) is 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile is N#Cc1ccnc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1.
What is the InChIKey of 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile?
The InChIKey is CZQXSFZTNZTJIW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16N6O/c19-11-13-6-7-20-15(10-13)18(25)23-8-3-4-14(12-23)17-22-21-16-5-1-2-9-24(16)17/h1-2,5-7,9-10,14H,3-4,8,12H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile?
2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile has a molecular weight of 332.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile is sourced from PubChem (CID 100755900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).