1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one

C21H22N4O2 — CID 133357440

IUPAC1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESO=C(c1ccc(NC2CC(=O)N(C3CC3)C2)nc1)N1CCc2ccccc21
InChIInChI=1S/C21H22N4O2/c26-20-11-16(13-25(20)17-6-7-17)23-19-8-5-15(12-22-19)21(27)24-10-9-14-3-1-2-4-18(14)24/h1-5,8,12,16-17H,6-7,9-11,13H2,(H,22,23)
InChIKeyRVZCMSKZWBXUEY-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.46
Rot. Bonds4

About 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one

1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one (PubChem CID 133357440) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one
PubChem CID133357440
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESO=C(c1ccc(NC2CC(=O)N(C3CC3)C2)nc1)N1CCc2ccccc21
InChIInChI=1S/C21H22N4O2/c26-20-11-16(13-25(20)17-6-7-17)23-19-8-5-15(12-22-19)21(27)24-10-9-14-3-1-2-4-18(14)24/h1-5,8,12,16-17H,6-7,9-11,13H2,(H,22,23)
InChIKeyRVZCMSKZWBXUEY-UHFFFAOYSA-N
XLogP2.46
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone
CID 127597666
[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133331613
2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone
CID 133378058
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
CID 133357945
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
CID 97316548

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one (CID 133357440) is 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one is O=C(c1ccc(NC2CC(=O)N(C3CC3)C2)nc1)N1CCc2ccccc21.
What is the InChIKey of 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one?
The InChIKey is RVZCMSKZWBXUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20-11-16(13-25(20)17-6-7-17)23-19-8-5-15(12-22-19)21(27)24-10-9-14-3-1-2-4-18(14)24/h1-5,8,12,16-17H,6-7,9-11,13H2,(H,22,23).
What are the key properties of 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one?
1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133357440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).