(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride

C13H19Cl2N5O — CID 119833084

IUPAC(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nnc2ccccn12)[C@H]1CCCCN1
InChIInChI=1S/C13H17N5O.2ClH/c19-13(10-5-1-3-7-14-10)15-9-12-17-16-11-6-2-4-8-18(11)12;;/h2,4,6,8,10,14H,1,3,5,7,9H2,(H,15,19);2*1H/t10-;;/m1../s1
InChIKeyGEYQAOMUIBHIAA-YQFADDPSSA-N
MW332.24 g/mol
LogP1.33
Rot. Bonds3

About (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride

(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride (PubChem CID 119833084) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
PubChem CID119833084
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC Name(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nnc2ccccn12)[C@H]1CCCCN1
InChIInChI=1S/C13H17N5O.2ClH/c19-13(10-5-1-3-7-14-10)15-9-12-17-16-11-6-2-4-8-18(11)12;;/h2,4,6,8,10,14H,1,3,5,7,9H2,(H,15,19);2*1H/t10-;;/m1../s1
InChIKeyGEYQAOMUIBHIAA-YQFADDPSSA-N
XLogP1.33
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 60717518
2-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64823445
cis-(1S,2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94035247
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836858
3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119833088
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119303149
cis-(1S,2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365838
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 91765217
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180

Frequently Asked Questions

What is the IUPAC name of (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride (CID 119833084) is (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1nnc2ccccn12)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride?
The InChIKey is GEYQAOMUIBHIAA-YQFADDPSSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c19-13(10-5-1-3-7-14-10)15-9-12-17-16-11-6-2-4-8-18(11)12;;/h2,4,6,8,10,14H,1,3,5,7,9H2,(H,15,19);2*1H/t10-;;/m1../s1.
What are the key properties of (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride?
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119833084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).