N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide

C19H22N6O — CID 119601545

IUPACN-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC2CN)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C19H22N6O/c1-12-18(19(26)22-17-6-2-4-14(17)11-20)23-24-25(12)15-7-8-16-13(10-15)5-3-9-21-16/h3,5,7-10,14,17H,2,4,6,11,20H2,1H3,(H,22,26)
InChIKeyXGSOOHPSWVWMHW-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.98
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide

N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide (PubChem CID 119601545) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
PubChem CID119601545
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC2CN)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C19H22N6O/c1-12-18(19(26)22-17-6-2-4-14(17)11-20)23-24-25(12)15-7-8-16-13(10-15)5-3-9-21-16/h3,5,7-10,14,17H,2,4,6,11,20H2,1H3,(H,22,26)
InChIKeyXGSOOHPSWVWMHW-UHFFFAOYSA-N
XLogP1.98
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
CID 119613817
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
CID 119603536
N-[2-(cycloheptylamino)ethyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 119619674
5-methyl-N-(2-piperidin-3-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide
CID 119555935
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
CID 146088736
(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
5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide
CID 75462818
(3S)-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514143
5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
CID 119445748
(2R,3R)-2-methyl-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116374
N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide
CID 119441874

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide (CID 119601545) is N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide is Cc1c(C(=O)NC2CCCC2CN)nnn1-c1ccc2ncccc2c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide?
The InChIKey is XGSOOHPSWVWMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-18(19(26)22-17-6-2-4-14(17)11-20)23-24-25(12)15-7-8-16-13(10-15)5-3-9-21-16/h3,5,7-10,14,17H,2,4,6,11,20H2,1H3,(H,22,26).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide is sourced from PubChem (CID 119601545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).