(1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone

C18H18N2O — CID 3041537

IUPAC(1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone
SMILESCC(C)c1c(C(=O)c2cccnc2)c2ccccc2n1C
InChIInChI=1S/C18H18N2O/c1-12(2)17-16(18(21)13-7-6-10-19-11-13)14-8-4-5-9-15(14)20(17)3/h4-12H,1-3H3
InChIKeyGOMJFICMDLIBQZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.93
Rot. Bonds3

About (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone

(1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone (PubChem CID 3041537) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone
PubChem CID3041537
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone
SMILESCC(C)c1c(C(=O)c2cccnc2)c2ccccc2n1C
InChIInChI=1S/C18H18N2O/c1-12(2)17-16(18(21)13-7-6-10-19-11-13)14-8-4-5-9-15(14)20(17)3/h4-12H,1-3H3
InChIKeyGOMJFICMDLIBQZ-UHFFFAOYSA-N
XLogP3.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone?
The IUPAC name of (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone (CID 3041537) is (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone is CC(C)c1c(C(=O)c2cccnc2)c2ccccc2n1C.
What is the InChIKey of (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone?
The InChIKey is GOMJFICMDLIBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12(2)17-16(18(21)13-7-6-10-19-11-13)14-8-4-5-9-15(14)20(17)3/h4-12H,1-3H3.
What are the key properties of (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone?
(1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone has a molecular weight of 278.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 3041537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).