1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide

C18H20N6O — CID 119427242

IUPAC1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2)nnn1-c1cccc2cnccc12
InChIInChI=1S/C18H20N6O/c1-12-17(18(25)21-14-5-3-8-19-11-14)22-23-24(12)16-6-2-4-13-10-20-9-7-15(13)16/h2,4,6-7,9-10,14,19H,3,5,8,11H2,1H3,(H,21,25)
InChIKeyJGXIQMRGUAGNMV-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.61
Rot. Bonds3

About 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide

1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide (PubChem CID 119427242) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
PubChem CID119427242
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2)nnn1-c1cccc2cnccc12
InChIInChI=1S/C18H20N6O/c1-12-17(18(25)21-14-5-3-8-19-11-14)22-23-24(12)16-6-2-4-13-10-20-9-7-15(13)16/h2,4,6-7,9-10,14,19H,3,5,8,11H2,1H3,(H,21,25)
InChIKeyJGXIQMRGUAGNMV-UHFFFAOYSA-N
XLogP1.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide
CID 120554698
1-isoquinolin-5-yl-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;dihydrochloride
CID 119447508
1,4-diazepan-1-yl-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119416900
1-isoquinolin-5-yl-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-5-methyltriazole-4-carboxamide
CID 96539581
2-[1-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120522017
(2S)-2-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 119359362
N-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)-1-isoquinolin-5-yl-5-methyltriazole-4-carboxamide
CID 167942714
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone
CID 166202199
[(3R)-3-aminopyrrolidin-1-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119411822
[2-(aminomethyl)pyrrolidin-1-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119633171
1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
CID 86901378

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide?
The IUPAC name of 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide (CID 119427242) is 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide is Cc1c(C(=O)NC2CCCNC2)nnn1-c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide?
The InChIKey is JGXIQMRGUAGNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-17(18(25)21-14-5-3-8-19-11-14)22-23-24(12)16-6-2-4-13-10-20-9-7-15(13)16/h2,4,6-7,9-10,14,19H,3,5,8,11H2,1H3,(H,21,25).
What are the key properties of 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide?
1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 119427242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).