N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide

C19H22N6O — CID 119441874

IUPACN,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCNCC2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C19H22N6O/c1-13-18(19(26)24(2)15-7-10-20-11-8-15)22-23-25(13)16-5-6-17-14(12-16)4-3-9-21-17/h3-6,9,12,15,20H,7-8,10-11H2,1-2H3
InChIKeyAKGYJQQRNGTWMC-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.95
Rot. Bonds3

About N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide

N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide (PubChem CID 119441874) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide
PubChem CID119441874
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCNCC2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C19H22N6O/c1-13-18(19(26)24(2)15-7-10-20-11-8-15)22-23-25(13)16-5-6-17-14(12-16)4-3-9-21-17/h3-6,9,12,15,20H,7-8,10-11H2,1-2H3
InChIKeyAKGYJQQRNGTWMC-UHFFFAOYSA-N
XLogP1.95
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,4-difluorocyclohexyl)-N,5-dimethyl-1-quinolin-6-yltriazole-4-carboxamide
CID 126808264
5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
CID 119445748
5-methyl-N-(2-piperidin-3-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide
CID 119555935
(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
CID 119373681
1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide
CID 119126304
N-[2-(cycloheptylamino)ethyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 119619674
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119553182
3-[(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520073
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
CID 146093015
(3S)-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514143
(2R,3R)-2-methyl-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116374

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide (CID 119441874) is N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide is Cc1c(C(=O)N(C)C2CCNCC2)nnn1-c1ccc2ncccc2c1.
What is the InChIKey of N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide?
The InChIKey is AKGYJQQRNGTWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-18(19(26)24(2)15-7-10-20-11-8-15)22-23-25(13)16-5-6-17-14(12-16)4-3-9-21-17/h3-6,9,12,15,20H,7-8,10-11H2,1-2H3.
What are the key properties of N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide?
N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide is sourced from PubChem (CID 119441874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).