1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride

C17H25Cl2N7O — CID 119839749

IUPAC1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(N2CCCC2)nc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H23N7O.2ClH/c25-17(15-12-24(22-21-15)14-5-7-18-8-6-14)20-13-3-4-16(19-11-13)23-9-1-2-10-23;;/h3-4,11-12,14,18H,1-2,5-10H2,(H,20,25);2*1H
InChIKeyCZZOTQPRHMQRHG-UHFFFAOYSA-N
MW414.34 g/mol
LogP2.29
Rot. Bonds4

About 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride

1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride (PubChem CID 119839749) has the molecular formula C17H25Cl2N7O and a molecular weight of 414.34 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride
PubChem CID119839749
Molecular FormulaC17H25Cl2N7O
Molecular Weight414.34 g/mol
Exact Mass413.15
IUPAC Name1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(N2CCCC2)nc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H23N7O.2ClH/c25-17(15-12-24(22-21-15)14-5-7-18-8-6-14)20-13-3-4-16(19-11-13)23-9-1-2-10-23;;/h3-4,11-12,14,18H,1-2,5-10H2,(H,20,25);2*1H
InChIKeyCZZOTQPRHMQRHG-UHFFFAOYSA-N
XLogP2.29
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119846496
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119849080
1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide
CID 119862108
1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119883333
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119829337
1-piperidin-4-yl-N-[4-(pyridin-3-ylcarbamoyl)phenyl]triazole-4-carboxamide
CID 119844777
1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119685721
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride (CID 119839749) is 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(N2CCCC2)nc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride?
The InChIKey is CZZOTQPRHMQRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O.2ClH/c25-17(15-12-24(22-21-15)14-5-7-18-8-6-14)20-13-3-4-16(19-11-13)23-9-1-2-10-23;;/h3-4,11-12,14,18H,1-2,5-10H2,(H,20,25);2*1H.
What are the key properties of 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride?
1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride has a molecular weight of 414.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119839749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).