3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one

C24H24N2O2 — CID 159523264

IUPAC3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
SMILESCCCC(=O)C1CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2ccccc2)C1
InChIInChI=1S/C24H24N2O2/c1-2-6-21(27)18-14-20-23(22(28)15-18)19(13-16-7-4-3-5-8-16)24(26-20)17-9-11-25-12-10-17/h3-5,7-12,18,26H,2,6,13-15H2,1H3
InChIKeyMCBPIIAHFDPSID-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.78
Rot. Bonds6

About 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one

3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 159523264) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
PubChem CID159523264
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
SMILESCCCC(=O)C1CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2ccccc2)C1
InChIInChI=1S/C24H24N2O2/c1-2-6-21(27)18-14-20-23(22(28)15-18)19(13-16-7-4-3-5-8-16)24(26-20)17-9-11-25-12-10-17/h3-5,7-12,18,26H,2,6,13-15H2,1H3
InChIKeyMCBPIIAHFDPSID-UHFFFAOYSA-N
XLogP4.78
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide
CID 152782851
3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 158297042
3-benzyl-6-(ethylsulfonylmethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 162176722
3-benzyl-6-(4-methyl-3-oxopentyl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 160885842
3-[(4-benzylphenyl)methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 149190220
3-benzyl-6-[2-(4-fluorophenyl)sulfonylethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 160912048
3-benzyl-6-(2-hydroxyethylsulfonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 159544305
(4aS,5aS)-3-benzyl-5a-methyl-2-pyridin-4-yl-1,4a,5,6-tetrahydrocyclopropa[f]indol-4-one
CID 159804901
3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 159896683
3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 148749410
N-[4-(3-benzyl-6-formyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]acetamide
CID 159115979
3-benzyl-2-[2-[(4-fluorobenzoyl)amino]-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 153167592

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one (CID 159523264) is 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one is CCCC(=O)C1CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is MCBPIIAHFDPSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-2-6-21(27)18-14-20-23(22(28)15-18)19(13-16-7-4-3-5-8-16)24(26-20)17-9-11-25-12-10-17/h3-5,7-12,18,26H,2,6,13-15H2,1H3.
What are the key properties of 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 372.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 159523264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).