5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one

C14H12ClN3O2 — CID 43189880

IUPAC5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3ccc(Cl)cc32)cn1
InChIInChI=1S/C14H12ClN3O2/c1-20-12-5-3-9(7-16-12)17-13-10-6-8(15)2-4-11(10)18-14(13)19/h2-7,13,17H,1H3,(H,18,19)
InChIKeyYZRLAKRGJLNGJC-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.85
Rot. Bonds3

About 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one

5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one (PubChem CID 43189880) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
PubChem CID43189880
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3ccc(Cl)cc32)cn1
InChIInChI=1S/C14H12ClN3O2/c1-20-12-5-3-9(7-16-12)17-13-10-6-8(15)2-4-11(10)18-14(13)19/h2-7,13,17H,1H3,(H,18,19)
InChIKeyYZRLAKRGJLNGJC-UHFFFAOYSA-N
XLogP2.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one (CID 43189880) is 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one is COc1ccc(NC2C(=O)Nc3ccc(Cl)cc32)cn1.
What is the InChIKey of 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is YZRLAKRGJLNGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-20-12-5-3-9(7-16-12)17-13-10-6-8(15)2-4-11(10)18-14(13)19/h2-7,13,17H,1H3,(H,18,19).
What are the key properties of 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 289.72 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43189880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).