2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide

C17H19N5O — CID 75598292

IUPAC2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
SMILESCC(N)C(=O)NC1CCN(c2nc3ccccc3cc2C#N)C1
InChIInChI=1S/C17H19N5O/c1-11(19)17(23)20-14-6-7-22(10-14)16-13(9-18)8-12-4-2-3-5-15(12)21-16/h2-5,8,11,14H,6-7,10,19H2,1H3,(H,20,23)
InChIKeyNSLFXTYDUICUES-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.15
Rot. Bonds3

About 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide

2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide (PubChem CID 75598292) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
PubChem CID75598292
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
SMILESCC(N)C(=O)NC1CCN(c2nc3ccccc3cc2C#N)C1
InChIInChI=1S/C17H19N5O/c1-11(19)17(23)20-14-6-7-22(10-14)16-13(9-18)8-12-4-2-3-5-15(12)21-16/h2-5,8,11,14H,6-7,10,19H2,1H3,(H,20,23)
InChIKeyNSLFXTYDUICUES-UHFFFAOYSA-N
XLogP1.15
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
CID 166323522
tert-butyl N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]carbamate
CID 77496249
N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345952
2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide
CID 75597941
2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 103896118
2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile
CID 81452578
N-[(3R)-1-[3-(3-cyanophenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide
CID 171505471
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348550
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348555
2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 103577412
2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile
CID 171997362
2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile
CID 163353105

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide (CID 75598292) is 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide is CC(N)C(=O)NC1CCN(c2nc3ccccc3cc2C#N)C1.
What is the InChIKey of 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is NSLFXTYDUICUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(19)17(23)20-14-6-7-22(10-14)16-13(9-18)8-12-4-2-3-5-15(12)21-16/h2-5,8,11,14H,6-7,10,19H2,1H3,(H,20,23).
What are the key properties of 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide?
2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 75598292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).