[1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone

C17H16N2O2 — CID 135257021

IUPAC[1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone
SMILESCCOCn1c(C(=O)c2ccncc2)cc2ccccc21
InChIInChI=1S/C17H16N2O2/c1-2-21-12-19-15-6-4-3-5-14(15)11-16(19)17(20)13-7-9-18-10-8-13/h3-11H,2,12H2,1H3
InChIKeyDDHXWIITJFJAET-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.26
Rot. Bonds5

About [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone

[1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone (PubChem CID 135257021) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone
PubChem CID135257021
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone
SMILESCCOCn1c(C(=O)c2ccncc2)cc2ccccc21
InChIInChI=1S/C17H16N2O2/c1-2-21-12-19-15-6-4-3-5-14(15)11-16(19)17(20)13-7-9-18-10-8-13/h3-11H,2,12H2,1H3
InChIKeyDDHXWIITJFJAET-UHFFFAOYSA-N
XLogP3.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethoxymethyl)indole-2-carboxylic acid
CID 71445591
[1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone
CID 142404060
S-pyridin-4-yl 1-benzylindole-2-carbothioate
CID 16681534
(3-methylphenyl)-(1-prop-2-ynylindol-2-yl)methanone
CID 101417262
ethyl 1-[(3,5-difluorophenyl)methyl]indole-2-carboxylate
CID 143638283
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965654
(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 102206318
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
1-ethylindole-2-carbohydrazide
CID 166595239
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
CID 71206188
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402

Frequently Asked Questions

What is the IUPAC name of [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone (CID 135257021) is [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone is CCOCn1c(C(=O)c2ccncc2)cc2ccccc21.
What is the InChIKey of [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone?
The InChIKey is DDHXWIITJFJAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-21-12-19-15-6-4-3-5-14(15)11-16(19)17(20)13-7-9-18-10-8-13/h3-11H,2,12H2,1H3.
What are the key properties of [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone?
[1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone has a molecular weight of 280.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 135257021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).