3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide

C17H18BrN3 — CID 174356029

IUPAC3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide
SMILESBr.CCN1C=CC=C(Cc2c[nH]c3ccc(C#N)cc23)C1
InChIInChI=1S/C17H17N3.BrH/c1-2-20-7-3-4-14(12-20)8-15-11-19-17-6-5-13(10-18)9-16(15)17;/h3-7,9,11,19H,2,8,12H2,1H3;1H
InChIKeyQVCWJAZMJYZBDX-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.94
Rot. Bonds3

About 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide

3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide (PubChem CID 174356029) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide.

Molecular Properties

Compound Name3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide
PubChem CID174356029
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide
SMILESBr.CCN1C=CC=C(Cc2c[nH]c3ccc(C#N)cc23)C1
InChIInChI=1S/C17H17N3.BrH/c1-2-20-7-3-4-14(12-20)8-15-11-19-17-6-5-13(10-18)9-16(15)17;/h3-7,9,11,19H,2,8,12H2,1H3;1H
InChIKeyQVCWJAZMJYZBDX-UHFFFAOYSA-N
XLogP3.94
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole
CID 174354665
3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile
CID 11230037
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
3-(5-oxopentyl)-1H-indole-5-carbonitrile
CID 90054583
3-[(1-benzhydrylazetidin-3-yl)methyl]-1H-indole-5-carbonitrile
CID 69204264
3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
CID 54191392
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
ethyl 4-acetyl-5-[(5-cyano-1H-indol-3-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 22902257
3-acetyl-1H-indole-5-carbonitrile
CID 28505
3-(2,2-dimethylbutanoyl)-1H-indole-5-carbonitrile
CID 114015915

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide?
The IUPAC name of 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide (CID 174356029) is 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide.
What is the SMILES notation for 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide?
The canonical SMILES for 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide is Br.CCN1C=CC=C(Cc2c[nH]c3ccc(C#N)cc23)C1.
What is the InChIKey of 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide?
The InChIKey is QVCWJAZMJYZBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3.BrH/c1-2-20-7-3-4-14(12-20)8-15-11-19-17-6-5-13(10-18)9-16(15)17;/h3-7,9,11,19H,2,8,12H2,1H3;1H.
What are the key properties of 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide?
3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide has a molecular weight of 344.26 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide is sourced from PubChem (CID 174356029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).