(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride

C17H26ClN5O2 — CID 163334574

IUPAC(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCc2nnc3ccccn23)CC[C@H]1N.Cl
InChIInChI=1S/C17H25N5O2.ClH/c1-2-9-24-14-10-12(6-7-13(14)18)17(23)19-11-16-21-20-15-5-3-4-8-22(15)16;/h3-5,8,12-14H,2,6-7,9-11,18H2,1H3,(H,19,23);1H/t12-,13+,14+;/m0./s1
InChIKeyQZYTVQMSNWGTIW-SOIKFHLCSA-N
MW367.88 g/mol
LogP1.69
Rot. Bonds6

About (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride

(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 163334574) has the molecular formula C17H26ClN5O2 and a molecular weight of 367.88 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID163334574
Molecular FormulaC17H26ClN5O2
Molecular Weight367.88 g/mol
Exact Mass367.18
IUPAC Name(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCc2nnc3ccccn23)CC[C@H]1N.Cl
InChIInChI=1S/C17H25N5O2.ClH/c1-2-9-24-14-10-12(6-7-13(14)18)17(23)19-11-16-21-20-15-5-3-4-8-22(15)16;/h3-5,8,12-14H,2,6-7,9-11,18H2,1H3,(H,19,23);1H/t12-,13+,14+;/m0./s1
InChIKeyQZYTVQMSNWGTIW-SOIKFHLCSA-N
XLogP1.69
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119833088
(1S,3R,4R)-4-amino-3-propoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 155940694
2-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64823445
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
(1S,3R,4R)-4-amino-N-(3-phenylpropyl)-3-propoxycyclohexane-1-carboxamide
CID 154817706
3-[[[(1S,3R,4R)-4-amino-3-propoxycyclohexanecarbonyl]amino]methyl]-N-methylbenzamide;hydrochloride
CID 163334296
(1S,3R,4R)-4-amino-N-[(3,4-dichlorophenyl)methyl]-3-propoxycyclohexane-1-carboxamide;formic acid
CID 155939771
1-(2-ethoxyphenyl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 51181913
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
(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
CID 26009015
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119833084

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride (CID 163334574) is (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride is CCCO[C@@H]1C[C@@H](C(=O)NCc2nnc3ccccn23)CC[C@H]1N.Cl.
What is the InChIKey of (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is QZYTVQMSNWGTIW-SOIKFHLCSA-N. The full InChI is InChI=1S/C17H25N5O2.ClH/c1-2-9-24-14-10-12(6-7-13(14)18)17(23)19-11-16-21-20-15-5-3-4-8-22(15)16;/h3-5,8,12-14H,2,6-7,9-11,18H2,1H3,(H,19,23);1H/t12-,13+,14+;/m0./s1.
What are the key properties of (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 163334574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).