N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide

C18H26N6O — CID 119899969

IUPACN-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cn(C2CCNCC2)nn1)c1cccnc1
InChIInChI=1S/C18H26N6O/c1-13(2)16(14-4-3-7-20-10-14)11-21-18(25)17-12-24(23-22-17)15-5-8-19-9-6-15/h3-4,7,10,12-13,15-16,19H,5-6,8-9,11H2,1-2H3,(H,21,25)
InChIKeyAXHGIXLMICEVMM-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.77
Rot. Bonds6

About N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119899969) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119899969
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cn(C2CCNCC2)nn1)c1cccnc1
InChIInChI=1S/C18H26N6O/c1-13(2)16(14-4-3-7-20-10-14)11-21-18(25)17-12-24(23-22-17)15-5-8-19-9-6-15/h3-4,7,10,12-13,15-16,19H,5-6,8-9,11H2,1-2H3,(H,21,25)
InChIKeyAXHGIXLMICEVMM-UHFFFAOYSA-N
XLogP1.77
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804407
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119871699
N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119853215
N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119866548
N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804464
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119899969) is N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide is CC(C)C(CNC(=O)c1cn(C2CCNCC2)nn1)c1cccnc1.
What is the InChIKey of N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is AXHGIXLMICEVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)16(14-4-3-7-20-10-14)11-21-18(25)17-12-24(23-22-17)15-5-8-19-9-6-15/h3-4,7,10,12-13,15-16,19H,5-6,8-9,11H2,1-2H3,(H,21,25).
What are the key properties of N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119899969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).