2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide

C18H17N7O — CID 177199225

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide
SMILESN#Cc1ncn(CC(=O)N[C@H]2CCN(c3ccc4ccccc4n3)C2)n1
InChIInChI=1S/C18H17N7O/c19-9-16-20-12-25(23-16)11-18(26)21-14-7-8-24(10-14)17-6-5-13-3-1-2-4-15(13)22-17/h1-6,12,14H,7-8,10-11H2,(H,21,26)/t14-/m0/s1
InChIKeyZQKRNRROLQYJMC-AWEZNQCLSA-N
MW347.38 g/mol
LogP1.09
Rot. Bonds4

About 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide

2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 177199225) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide
PubChem CID177199225
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide
SMILESN#Cc1ncn(CC(=O)N[C@H]2CCN(c3ccc4ccccc4n3)C2)n1
InChIInChI=1S/C18H17N7O/c19-9-16-20-12-25(23-16)11-18(26)21-14-7-8-24(10-14)17-6-5-13-3-1-2-4-15(13)22-17/h1-6,12,14H,7-8,10-11H2,(H,21,26)/t14-/m0/s1
InChIKeyZQKRNRROLQYJMC-AWEZNQCLSA-N
XLogP1.09
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide
CID 177199239
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(2-methylquinolin-6-yl)pyrrolidin-3-yl]acetamide
CID 176514755
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-[2-(trifluoromethyl)quinolin-6-yl]pyrrolidin-3-yl]acetamide
CID 177199247
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
CID 177199219
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(2-methylquinoxalin-6-yl)pyrrolidin-3-yl]acetamide
CID 177199216
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide;1,2-dihydroisoquinoline;ethane
CID 177199254
N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
CID 166323522
2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide
CID 58546843
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967
2-indol-1-yl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99697341
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 17468588
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 167779974

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide (CID 177199225) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide is N#Cc1ncn(CC(=O)N[C@H]2CCN(c3ccc4ccccc4n3)C2)n1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is ZQKRNRROLQYJMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N7O/c19-9-16-20-12-25(23-16)11-18(26)21-14-7-8-24(10-14)17-6-5-13-3-1-2-4-15(13)22-17/h1-6,12,14H,7-8,10-11H2,(H,21,26)/t14-/m0/s1.
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 177199225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).