6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one

C20H16ClN3O — CID 165030774

IUPAC6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(-c3cncc(CNc4ccc(Cl)cc4)c3)cc2N1
InChIInChI=1S/C20H16ClN3O/c21-17-3-5-18(6-4-17)23-11-13-7-16(12-22-10-13)14-1-2-15-9-20(25)24-19(15)8-14/h1-8,10,12,23H,9,11H2,(H,24,25)
InChIKeyMPQMLRYGOZHIII-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.51
Rot. Bonds4

About 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one

6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one (PubChem CID 165030774) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one
PubChem CID165030774
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(-c3cncc(CNc4ccc(Cl)cc4)c3)cc2N1
InChIInChI=1S/C20H16ClN3O/c21-17-3-5-18(6-4-17)23-11-13-7-16(12-22-10-13)14-1-2-15-9-20(25)24-19(15)8-14/h1-8,10,12,23H,9,11H2,(H,24,25)
InChIKeyMPQMLRYGOZHIII-UHFFFAOYSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
CID 9797919
1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 10094201
1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 22663341
N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4782931
N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 2483199
1-[(4-carbamoylphenyl)methyl]-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 44298227
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(2-phenylethyl)indole-6-carboxamide
CID 44298485
(3E)-3-[[1-[(2-chlorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one chloride
CID 118708833
(3E)-3-[[1-[(2-chlorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one
CID 118708834
4-(4-chlorophenyl)-N-(3-pyridinylmethyl)cyclohexanecarboxamide
CID 2815214
N-(4-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 16019089
N-(3-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 20899770

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one (CID 165030774) is 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one is O=C1Cc2ccc(-c3cncc(CNc4ccc(Cl)cc4)c3)cc2N1.
What is the InChIKey of 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one?
The InChIKey is MPQMLRYGOZHIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c21-17-3-5-18(6-4-17)23-11-13-7-16(12-22-10-13)14-1-2-15-9-20(25)24-19(15)8-14/h1-8,10,12,23H,9,11H2,(H,24,25).
What are the key properties of 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one?
6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one has a molecular weight of 349.82 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 165030774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).