5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one

C14H14N4O — CID 43451706

IUPAC5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCc1ccccn1)NC(=O)C2
InChIInChI=1S/C14H14N4O/c15-11-5-9-6-14(19)18-12(9)7-13(11)17-8-10-3-1-2-4-16-10/h1-5,7,17H,6,8,15H2,(H,18,19)
InChIKeyPRWVOWGJXOIAQL-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.77
Rot. Bonds3

About 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one

5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 43451706) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID43451706
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCc1ccccn1)NC(=O)C2
InChIInChI=1S/C14H14N4O/c15-11-5-9-6-14(19)18-12(9)7-13(11)17-8-10-3-1-2-4-16-10/h1-5,7,17H,6,8,15H2,(H,18,19)
InChIKeyPRWVOWGJXOIAQL-UHFFFAOYSA-N
XLogP1.77
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451710
5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882
5-amino-6-(pyridin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451711
5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 63293613
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one
CID 60905011
5-amino-6-[(5-methylfuran-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62524524
5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62057206
6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 62758930
5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 54982616
7-amino-6-(2-pyridin-2-ylethylamino)-4H-1,4-benzoxazin-3-one
CID 43479162

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one (CID 43451706) is 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one is Nc1cc2c(cc1NCc1ccccn1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is PRWVOWGJXOIAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-11-5-9-6-14(19)18-12(9)7-13(11)17-8-10-3-1-2-4-16-10/h1-5,7,17H,6,8,15H2,(H,18,19).
What are the key properties of 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one?
5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).