5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one

C14H13N3O — CID 43198852

IUPAC5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1ccncc1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H13N3O/c15-14(9-3-5-16-6-4-9)10-1-2-12-11(7-10)8-13(18)17-12/h1-7,14H,8,15H2,(H,17,18)
InChIKeyKLVTZAWLYNLAHF-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.62
Rot. Bonds2

About 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one

5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43198852) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID43198852
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1ccncc1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H13N3O/c15-14(9-3-5-16-6-4-9)10-1-2-12-11(7-10)8-13(18)17-12/h1-7,14H,8,15H2,(H,17,18)
InChIKeyKLVTZAWLYNLAHF-UHFFFAOYSA-N
XLogP1.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one
CID 114988519
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 116936683
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790
5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one
CID 116833671
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 80536215

Frequently Asked Questions

What is the IUPAC name of 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one (CID 43198852) is 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one is NC(c1ccncc1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is KLVTZAWLYNLAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-14(9-3-5-16-6-4-9)10-1-2-12-11(7-10)8-13(18)17-12/h1-7,14H,8,15H2,(H,17,18).
What are the key properties of 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one?
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 239.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43198852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).