5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide

C19H22N6O — CID 120576888

IUPAC5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2C)nnn1-c1cccc2cccnc12
InChIInChI=1S/C19H22N6O/c1-12-15(8-5-10-20-12)22-19(26)17-13(2)25(24-23-17)16-9-3-6-14-7-4-11-21-18(14)16/h3-4,6-7,9,11-12,15,20H,5,8,10H2,1-2H3,(H,22,26)
InChIKeyNSONXHASZIDCOE-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.99
Rot. Bonds3

About 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide

5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide (PubChem CID 120576888) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
PubChem CID120576888
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2C)nnn1-c1cccc2cccnc12
InChIInChI=1S/C19H22N6O/c1-12-15(8-5-10-20-12)22-19(26)17-13(2)25(24-23-17)16-9-3-6-14-7-4-11-21-18(14)16/h3-4,6-7,9,11-12,15,20H,5,8,10H2,1-2H3,(H,22,26)
InChIKeyNSONXHASZIDCOE-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
CID 120576885
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide
CID 120576271
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
CID 120576465
2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120521955
1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 120573418
1-[[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544143
1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119427242

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide (CID 120576888) is 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide is Cc1c(C(=O)NC2CCCNC2C)nnn1-c1cccc2cccnc12.
What is the InChIKey of 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide?
The InChIKey is NSONXHASZIDCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-15(8-5-10-20-12)22-19(26)17-13(2)25(24-23-17)16-9-3-6-14-7-4-11-21-18(14)16/h3-4,6-7,9,11-12,15,20H,5,8,10H2,1-2H3,(H,22,26).
What are the key properties of 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide?
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide is sourced from PubChem (CID 120576888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).