1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide

C19H22N6O — CID 120554698

IUPAC1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCNCC2C)nnn1-c1cccc2cnccc12
InChIInChI=1S/C19H22N6O/c1-12-10-20-9-7-16(12)22-19(26)18-13(2)25(24-23-18)17-5-3-4-14-11-21-8-6-15(14)17/h3-6,8,11-12,16,20H,7,9-10H2,1-2H3,(H,22,26)
InChIKeyPHTRRVUEQSEUKT-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.85
Rot. Bonds3

About 1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide

1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 120554698) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide
PubChem CID120554698
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCNCC2C)nnn1-c1cccc2cnccc12
InChIInChI=1S/C19H22N6O/c1-12-10-20-9-7-16(12)22-19(26)18-13(2)25(24-23-18)17-5-3-4-14-11-21-8-6-15(14)17/h3-6,8,11-12,16,20H,7,9-10H2,1-2H3,(H,22,26)
InChIKeyPHTRRVUEQSEUKT-UHFFFAOYSA-N
XLogP1.85
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119427242
1-isoquinolin-5-yl-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;dihydrochloride
CID 119447508
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide
CID 120555706
N-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)-1-isoquinolin-5-yl-5-methyltriazole-4-carboxamide
CID 167942714
1-isoquinolin-5-yl-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-5-methyltriazole-4-carboxamide
CID 96539581
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone
CID 166202199
(2S)-2-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 119359362
1,4-diazepan-1-yl-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119416900
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888
2-[1-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120522017
[(3R)-3-aminopyrrolidin-1-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119411822
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
CID 120576885

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide (CID 120554698) is 1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide is Cc1c(C(=O)NC2CCNCC2C)nnn1-c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide?
The InChIKey is PHTRRVUEQSEUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-10-20-9-7-16(12)22-19(26)18-13(2)25(24-23-18)17-5-3-4-14-11-21-8-6-15(14)17/h3-6,8,11-12,16,20H,7,9-10H2,1-2H3,(H,22,26).
What are the key properties of 1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide?
1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.85, 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-(3-methylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 120554698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).