1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone

C16H14N2O — CID 86729069

IUPAC1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
SMILESCn1cc(C(=O)Cc2cccnc2)c2ccccc21
InChIInChI=1S/C16H14N2O/c1-18-11-14(13-6-2-3-7-15(13)18)16(19)9-12-5-4-8-17-10-12/h2-8,10-11H,9H2,1H3
InChIKeyOLASSAKXEXNPFR-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.00
Rot. Bonds3

About 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone

1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone (PubChem CID 86729069) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
PubChem CID86729069
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
SMILESCn1cc(C(=O)Cc2cccnc2)c2ccccc21
InChIInChI=1S/C16H14N2O/c1-18-11-14(13-6-2-3-7-15(13)18)16(19)9-12-5-4-8-17-10-12/h2-8,10-11H,9H2,1H3
InChIKeyOLASSAKXEXNPFR-UHFFFAOYSA-N
XLogP3.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340241
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone
CID 110656771
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
1-methylindole-3-carbothioic S-acid
CID 116918837
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone
CID 102830690
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one
CID 23299590

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone (CID 86729069) is 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone is Cn1cc(C(=O)Cc2cccnc2)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone?
The InChIKey is OLASSAKXEXNPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18-11-14(13-6-2-3-7-15(13)18)16(19)9-12-5-4-8-17-10-12/h2-8,10-11H,9H2,1H3.
What are the key properties of 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone?
1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone has a molecular weight of 250.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 86729069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).