(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide

C19H20N6O2 — CID 95175654

IUPAC(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCN1C(=O)c1nnn(-c2cccc3ncccc23)c1C
InChIInChI=1S/C19H20N6O2/c1-12-17(19(27)24-11-5-9-16(24)18(26)20-2)22-23-25(12)15-8-3-7-14-13(15)6-4-10-21-14/h3-4,6-8,10,16H,5,9,11H2,1-2H3,(H,20,26)/t16-/m1/s1
InChIKeyTZOJRLQRSDMGGE-MRXNPFEDSA-N
MW364.41 g/mol
LogP1.47
Rot. Bonds3

About (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 95175654) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID95175654
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCN1C(=O)c1nnn(-c2cccc3ncccc23)c1C
InChIInChI=1S/C19H20N6O2/c1-12-17(19(27)24-11-5-9-16(24)18(26)20-2)22-23-25(12)15-8-3-7-14-13(15)6-4-10-21-14/h3-4,6-8,10,16H,5,9,11H2,1-2H3,(H,20,26)/t16-/m1/s1
InChIKeyTZOJRLQRSDMGGE-MRXNPFEDSA-N
XLogP1.47
TPSA93.01 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119437288
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119546412
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119541912
(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676308
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
CID 75462810
(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 125120290
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide
CID 167875124
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
CID 120576885
1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530849
(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 122140680

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide (CID 95175654) is (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide is CNC(=O)[C@H]1CCCN1C(=O)c1nnn(-c2cccc3ncccc23)c1C.
What is the InChIKey of (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is TZOJRLQRSDMGGE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-17(19(27)24-11-5-9-16(24)18(26)20-2)22-23-25(12)15-8-3-7-14-13(15)6-4-10-21-14/h3-4,6-8,10,16H,5,9,11H2,1-2H3,(H,20,26)/t16-/m1/s1.
What are the key properties of (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95175654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).