4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile

C17H13N3 — CID 155530492

IUPAC4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile
SMILESC=C(c1ccnc(C#N)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H13N3/c1-12(14-5-7-19-16(10-14)11-18)13-3-4-17-15(9-13)6-8-20(17)2/h3-10H,1H2,2H3
InChIKeySACCNHQUYLXEHS-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.51
Rot. Bonds2

About 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile

4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile (PubChem CID 155530492) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile
PubChem CID155530492
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile
SMILESC=C(c1ccnc(C#N)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H13N3/c1-12(14-5-7-19-16(10-14)11-18)13-3-4-17-15(9-13)6-8-20(17)2/h3-10H,1H2,2H3
InChIKeySACCNHQUYLXEHS-UHFFFAOYSA-N
XLogP3.51
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methylquinoline
CID 7059
Latrepirdine
CID 197033
Mebhydrolin
CID 22530
1-Methyl-1H-indole-3-ethylamine
CID 23492
Avn-101
CID 42631003
Besipirdine
CID 60691
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
5-Methyltryptamine
CID 15760
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
6-Isopropylquinoline
CID 67285
alpha-Methyl-1H-indole-5-ethanamine
CID 55253543

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile (CID 155530492) is 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile is C=C(c1ccnc(C#N)c1)c1ccc2c(ccn2C)c1.
What is the InChIKey of 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile?
The InChIKey is SACCNHQUYLXEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12(14-5-7-19-16(10-14)11-18)13-3-4-17-15(9-13)6-8-20(17)2/h3-10H,1H2,2H3.
What are the key properties of 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile?
4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylindol-5-yl)ethenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 155530492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).