N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C19H26Cl2N8O2 — CID 119871699

IUPACN-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCC(C)C(NC(=O)c1cn(C2CCNCC2)nn1)c1nc(-c2cccnc2)no1.Cl.Cl
InChIInChI=1S/C19H24N8O2.2ClH/c1-12(2)16(19-23-17(25-29-19)13-4-3-7-21-10-13)22-18(28)15-11-27(26-24-15)14-5-8-20-9-6-14;;/h3-4,7,10-12,14,16,20H,5-6,8-9H2,1-2H3,(H,22,28);2*1H
InChIKeyCSJVHACZJZSHKS-UHFFFAOYSA-N
MW469.38 g/mol
LogP2.62
Rot. Bonds6

About N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119871699) has the molecular formula C19H26Cl2N8O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119871699
Molecular FormulaC19H26Cl2N8O2
Molecular Weight469.38 g/mol
Exact Mass468.16
IUPAC NameN-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCC(C)C(NC(=O)c1cn(C2CCNCC2)nn1)c1nc(-c2cccnc2)no1.Cl.Cl
InChIInChI=1S/C19H24N8O2.2ClH/c1-12(2)16(19-23-17(25-29-19)13-4-3-7-21-10-13)22-18(28)15-11-27(26-24-15)14-5-8-20-9-6-14;;/h3-4,7,10-12,14,16,20H,5-6,8-9H2,1-2H3,(H,22,28);2*1H
InChIKeyCSJVHACZJZSHKS-UHFFFAOYSA-N
XLogP2.62
TPSA123.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119817252
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
CID 119897450
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
CID 122138041
N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119899969
N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119789668
(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97239105
1-piperidin-4-yl-N-[4-(pyridin-3-ylcarbamoyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119844776
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide
CID 81404648
1-(azetidin-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]triazole-4-carboxamide
CID 81405057

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119871699) is N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CC(C)C(NC(=O)c1cn(C2CCNCC2)nn1)c1nc(-c2cccnc2)no1.Cl.Cl.
What is the InChIKey of N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is CSJVHACZJZSHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2.2ClH/c1-12(2)16(19-23-17(25-29-19)13-4-3-7-21-10-13)22-18(28)15-11-27(26-24-15)14-5-8-20-9-6-14;;/h3-4,7,10-12,14,16,20H,5-6,8-9H2,1-2H3,(H,22,28);2*1H.
What are the key properties of N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 469.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119871699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).