[1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone

C19H20N2O — CID 152749428

IUPAC[1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone
SMILESCC(C)Cc1c(C(=O)c2ccncc2)c2ccccc2n1C
InChIInChI=1S/C19H20N2O/c1-13(2)12-17-18(19(22)14-8-10-20-11-9-14)15-6-4-5-7-16(15)21(17)3/h4-11,13H,12H2,1-3H3
InChIKeyOSSVPKKLZLRHCA-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.00
Rot. Bonds4

About [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone

[1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone (PubChem CID 152749428) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone
PubChem CID152749428
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name[1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone
SMILESCC(C)Cc1c(C(=O)c2ccncc2)c2ccccc2n1C
InChIInChI=1S/C19H20N2O/c1-13(2)12-17-18(19(22)14-8-10-20-11-9-14)15-6-4-5-7-16(15)21(17)3/h4-11,13H,12H2,1-3H3
InChIKeyOSSVPKKLZLRHCA-UHFFFAOYSA-N
XLogP4.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
1-methyl-3-(2-methylpropyl)indole-2-carboxamide
CID 173435951
[2-methyl-1-(4-pyridin-4-ylsulfinylbutyl)indol-3-yl]-phenylmethanone
CID 70527709
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
2-butyl-1-methylindole-3-carboxylic acid
CID 18505279
methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
CID 13186153
1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 82294422
N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 107234763
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965365
1-(2-ethyl-1-methylindol-3-yl)-N,1-diphenylmethanimine
CID 154312945
3-hydroxy-1-methyl-4-pyridin-4-ylquinolin-2-one
CID 137027848
methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
CID 10704781

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone?
The IUPAC name of [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone (CID 152749428) is [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone is CC(C)Cc1c(C(=O)c2ccncc2)c2ccccc2n1C.
What is the InChIKey of [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone?
The InChIKey is OSSVPKKLZLRHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13(2)12-17-18(19(22)14-8-10-20-11-9-14)15-6-4-5-7-16(15)21(17)3/h4-11,13H,12H2,1-3H3.
What are the key properties of [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone?
[1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone has a molecular weight of 292.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(2-methylpropyl)indol-3-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 152749428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).