N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride

C17H31Cl2N5O — CID 119900263

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCc1nc2n(n1)CCCC2NC(=O)CC(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H29N5O.2ClH/c1-3-15-20-17-14(5-4-10-22(17)21-15)19-16(23)11-12(2)13-6-8-18-9-7-13;;/h12-14,18H,3-11H2,1-2H3,(H,19,23);2*1H
InChIKeyOGBXWBOLWPTKTF-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.66
Rot. Bonds5

About N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119900263) has the molecular formula C17H31Cl2N5O and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119900263
Molecular FormulaC17H31Cl2N5O
Molecular Weight392.38 g/mol
Exact Mass391.19
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCc1nc2n(n1)CCCC2NC(=O)CC(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H29N5O.2ClH/c1-3-15-20-17-14(5-4-10-22(17)21-15)19-16(23)11-12(2)13-6-8-18-9-7-13;;/h12-14,18H,3-11H2,1-2H3,(H,19,23);2*1H
InChIKeyOGBXWBOLWPTKTF-UHFFFAOYSA-N
XLogP2.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119900267
3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride
CID 119954217
N-(1-methyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119782040
N-(2-oxo-1-phenylpiperidin-3-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119787611
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide
CID 84596679
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
3-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 97055693
3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclohexane-1-carboxamide
CID 119900248
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97054164
(3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 97054826
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84596923
1-[(1S,2R)-2-cyclohexylcyclopropyl]-3-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97050961

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119900263) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride is CCc1nc2n(n1)CCCC2NC(=O)CC(C)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is OGBXWBOLWPTKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.2ClH/c1-3-15-20-17-14(5-4-10-22(17)21-15)19-16(23)11-12(2)13-6-8-18-9-7-13;;/h12-14,18H,3-11H2,1-2H3,(H,19,23);2*1H.
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 392.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119900263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).