3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one

C18H16N4O2 — CID 125431268

IUPAC3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CN1
InChIInChI=1S/C18H16N4O2/c23-17-9-15(11-20-17)21-14-3-4-16-12(8-14)5-7-22(16)18(24)13-2-1-6-19-10-13/h1-4,6,8-10,21H,5,7,11H2,(H,20,23)
InChIKeyVLEXLJJYFIVIKO-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.71
Rot. Bonds3

About 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one

3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one (PubChem CID 125431268) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one
PubChem CID125431268
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CN1
InChIInChI=1S/C18H16N4O2/c23-17-9-15(11-20-17)21-14-3-4-16-12(8-14)5-7-22(16)18(24)13-2-1-6-19-10-13/h1-4,6,8-10,21H,5,7,11H2,(H,20,23)
InChIKeyVLEXLJJYFIVIKO-UHFFFAOYSA-N
XLogP1.71
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one with MolForge

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Related Compounds

2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120636790
[5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone
CID 133304348
4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide
CID 86949531
cis-(1R,3S)-2,2-dimethyl-3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391406
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119942245
4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide
CID 86963920

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one (CID 125431268) is 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one is O=C1C=C(Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CN1.
What is the InChIKey of 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one?
The InChIKey is VLEXLJJYFIVIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17-9-15(11-20-17)21-14-3-4-16-12(8-14)5-7-22(16)18(24)13-2-1-6-19-10-13/h1-4,6,8-10,21H,5,7,11H2,(H,20,23).
What are the key properties of 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one?
3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one has a molecular weight of 320.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 125431268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).