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

C15H16N4O — CID 115147674

IUPAC5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
SMILESCc1nc(NCc2ccc3c(c2)CC(=O)N3)ccc1N
InChIInChI=1S/C15H16N4O/c1-9-12(16)3-5-14(18-9)17-8-10-2-4-13-11(6-10)7-15(20)19-13/h2-6H,7-8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyHXEFZZLKRCUAOK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.08
Rot. Bonds3

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

5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one (PubChem CID 115147674) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
PubChem CID115147674
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
SMILESCc1nc(NCc2ccc3c(c2)CC(=O)N3)ccc1N
InChIInChI=1S/C15H16N4O/c1-9-12(16)3-5-14(18-9)17-8-10-2-4-13-11(6-10)7-15(20)19-13/h2-6H,7-8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyHXEFZZLKRCUAOK-UHFFFAOYSA-N
XLogP2.08
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115148256
5-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115148571
2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 115136555
5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115204416
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine
CID 115147662
2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid
CID 166364586
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one (CID 115147674) is 5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one is Cc1nc(NCc2ccc3c(c2)CC(=O)N3)ccc1N.
What is the InChIKey of 5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one?
The InChIKey is HXEFZZLKRCUAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-12(16)3-5-14(18-9)17-8-10-2-4-13-11(6-10)7-15(20)19-13/h2-6H,7-8,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one?
5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115147674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).