1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide

C19H20N6O2 — CID 119126304

IUPAC1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide
SMILESCc1c(C(=O)N2CCC(C(N)=O)CC2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C19H20N6O2/c1-12-17(19(27)24-9-6-13(7-10-24)18(20)26)22-23-25(12)15-4-5-16-14(11-15)3-2-8-21-16/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,20,26)
InChIKeySMGJZVYXXMWDHU-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.46
Rot. Bonds3

About 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide

1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 119126304) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID119126304
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide
SMILESCc1c(C(=O)N2CCC(C(N)=O)CC2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C19H20N6O2/c1-12-17(19(27)24-9-6-13(7-10-24)18(20)26)22-23-25(12)15-4-5-16-14(11-15)3-2-8-21-16/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,20,26)
InChIKeySMGJZVYXXMWDHU-UHFFFAOYSA-N
XLogP1.46
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide (CID 119126304) is 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide is Cc1c(C(=O)N2CCC(C(N)=O)CC2)nnn1-c1ccc2ncccc2c1.
What is the InChIKey of 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is SMGJZVYXXMWDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-17(19(27)24-9-6-13(7-10-24)18(20)26)22-23-25(12)15-4-5-16-14(11-15)3-2-8-21-16/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,20,26).
What are the key properties of 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide?
1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 119126304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).