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

C19H24Cl2N6O — CID 120576885

IUPAC5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NC2CCCNC2C)nnn1-c1cccc2ncccc12.Cl.Cl
InChIInChI=1S/C19H22N6O.2ClH/c1-12-15(8-5-10-20-12)22-19(26)18-13(2)25(24-23-18)17-9-3-7-16-14(17)6-4-11-21-16;;/h3-4,6-7,9,11-12,15,20H,5,8,10H2,1-2H3,(H,22,26);2*1H
InChIKeyJPYIHJFASVNOCK-UHFFFAOYSA-N
MW423.35 g/mol
LogP2.84
Rot. Bonds3

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

5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 120576885) has the molecular formula C19H24Cl2N6O and a molecular weight of 423.35 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
PubChem CID120576885
Molecular FormulaC19H24Cl2N6O
Molecular Weight423.35 g/mol
Exact Mass422.14
IUPAC Name5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NC2CCCNC2C)nnn1-c1cccc2ncccc12.Cl.Cl
InChIInChI=1S/C19H22N6O.2ClH/c1-12-15(8-5-10-20-12)22-19(26)18-13(2)25(24-23-18)17-9-3-7-16-14(17)6-4-11-21-16;;/h3-4,6-7,9,11-12,15,20H,5,8,10H2,1-2H3,(H,22,26);2*1H
InChIKeyJPYIHJFASVNOCK-UHFFFAOYSA-N
XLogP2.84
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888
cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676308
1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530849
(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
CID 75462810
(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 95175654
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119546412
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
CID 120576465
1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 120573418
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119541912
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119437288
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-5-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride (CID 120576885) is 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)NC2CCCNC2C)nnn1-c1cccc2ncccc12.Cl.Cl.
What is the InChIKey of 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is JPYIHJFASVNOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.2ClH/c1-12-15(8-5-10-20-12)22-19(26)18-13(2)25(24-23-18)17-9-3-7-16-14(17)6-4-11-21-16;;/h3-4,6-7,9,11-12,15,20H,5,8,10H2,1-2H3,(H,22,26);2*1H.
What are the key properties of 5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride?
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 423.35 g/mol, XLogP of 2.84, 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-5-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120576885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).