N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide

C21H24N6O2 — CID 126768243

IUPACN-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide
SMILESCC(=O)N1CCC(CN(C)C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1
InChIInChI=1S/C21H24N6O2/c1-14-19(21(29)25(3)12-16-9-11-26(13-16)15(2)28)23-24-27(14)18-8-4-6-17-7-5-10-22-20(17)18/h4-8,10,16H,9,11-13H2,1-3H3
InChIKeyUXIXVXJIJLXICK-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.06
Rot. Bonds4

About N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide

N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide (PubChem CID 126768243) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide
PubChem CID126768243
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide
SMILESCC(=O)N1CCC(CN(C)C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1
InChIInChI=1S/C21H24N6O2/c1-14-19(21(29)25(3)12-16-9-11-26(13-16)15(2)28)23-24-27(14)18-8-4-6-17-7-5-10-22-20(17)18/h4-8,10,16H,9,11-13H2,1-3H3
InChIKeyUXIXVXJIJLXICK-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide with MolForge

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 167826166
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
CID 119518228
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119541912
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
CID 120518470
N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide
CID 119052254
N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide
CID 166373507

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide?
The IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide (CID 126768243) is N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide?
The canonical SMILES for N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide is CC(=O)N1CCC(CN(C)C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1.
What is the InChIKey of N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide?
The InChIKey is UXIXVXJIJLXICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-19(21(29)25(3)12-16-9-11-26(13-16)15(2)28)23-24-27(14)18-8-4-6-17-7-5-10-22-20(17)18/h4-8,10,16H,9,11-13H2,1-3H3.
What are the key properties of N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide?
N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide is sourced from PubChem (CID 126768243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).