ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone

C18H20N2O — CID 161168956

IUPACethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCC.Cc1cccc(C(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C16H14N2O.C2H6/c1-10-6-5-9-14(17-10)16(19)15-11(2)18-13-8-4-3-7-12(13)15;1-2/h3-9,18H,1-2H3;1-2H3
InChIKeyUQXSFXSCJQGERQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.44
Rot. Bonds2

About ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone

ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 161168956) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Nameethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone
PubChem CID161168956
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Nameethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCC.Cc1cccc(C(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C16H14N2O.C2H6/c1-10-6-5-9-14(17-10)16(19)15-11(2)18-13-8-4-3-7-12(13)15;1-2/h3-9,18H,1-2H3;1-2H3
InChIKeyUQXSFXSCJQGERQ-UHFFFAOYSA-N
XLogP4.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
CID 10065533
CID 170645728
CID 170645728
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
CID 10422724
(E)-4-(2-methyl-1H-indol-3-yl)pent-3-en-2-one
CID 66575320
3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
CID 103309361
(5-bromofuran-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 43463185
(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 16764531
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide
CID 166187686

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone (CID 161168956) is ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone is CC.Cc1cccc(C(=O)c2c(C)[nH]c3ccccc23)n1.
What is the InChIKey of ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is UQXSFXSCJQGERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.C2H6/c1-10-6-5-9-14(17-10)16(19)15-11(2)18-13-8-4-3-7-12(13)15;1-2/h3-9,18H,1-2H3;1-2H3.
What are the key properties of ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone?
ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 280.37 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 161168956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).