N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide

C21H20N4O2 — CID 24612002

IUPACN-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H20N4O2/c26-20(25-10-3-4-11-25)14-23-21(27)17-12-19(15-6-5-9-22-13-15)24-18-8-2-1-7-16(17)18/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,27)
InChIKeyPGKZYBAVDXJAMN-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.65
Rot. Bonds4

About N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide

N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 24612002) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID24612002
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H20N4O2/c26-20(25-10-3-4-11-25)14-23-21(27)17-12-19(15-6-5-9-22-13-15)24-18-8-2-1-7-16(17)18/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,27)
InChIKeyPGKZYBAVDXJAMN-UHFFFAOYSA-N
XLogP2.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide
CID 46700452
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 111483666
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339243
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55332232
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 24612002) is N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NCC(=O)N1CCCC1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is PGKZYBAVDXJAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(25-10-3-4-11-25)14-23-21(27)17-12-19(15-6-5-9-22-13-15)24-18-8-2-1-7-16(17)18/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,27).
What are the key properties of N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 24612002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).