3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one

C19H16BrN3O — CID 177373583

IUPAC3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1NCC(Nc2ccccc2Br)C=C1c1cccc2[nH]ccc12
InChIInChI=1S/C19H16BrN3O/c20-16-5-1-2-6-18(16)23-12-10-15(19(24)22-11-12)13-4-3-7-17-14(13)8-9-21-17/h1-10,12,21,23H,11H2,(H,22,24)
InChIKeyQYLKHSQDLBUOEM-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.92
Rot. Bonds3

About 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one

3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 177373583) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one
PubChem CID177373583
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1NCC(Nc2ccccc2Br)C=C1c1cccc2[nH]ccc12
InChIInChI=1S/C19H16BrN3O/c20-16-5-1-2-6-18(16)23-12-10-15(19(24)22-11-12)13-4-3-7-17-14(13)8-9-21-17/h1-10,12,21,23H,11H2,(H,22,24)
InChIKeyQYLKHSQDLBUOEM-UHFFFAOYSA-N
XLogP3.92
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one (CID 177373583) is 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one is O=C1NCC(Nc2ccccc2Br)C=C1c1cccc2[nH]ccc12.
What is the InChIKey of 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is QYLKHSQDLBUOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-16-5-1-2-6-18(16)23-12-10-15(19(24)22-11-12)13-4-3-7-17-14(13)8-9-21-17/h1-10,12,21,23H,11H2,(H,22,24).
What are the key properties of 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one?
3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 382.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-5-(1H-indol-4-yl)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 177373583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).