N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane

C19H21N3 — CID 171106670

IUPACN-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane
SMILESC=Cc1ccc(Nc2ccc3[nH]ccc3c2)nc1C=C.CC
InChIInChI=1S/C17H15N3.C2H6/c1-3-12-5-8-17(20-15(12)4-2)19-14-6-7-16-13(11-14)9-10-18-16;1-2/h3-11,18H,1-2H2,(H,19,20);1-2H3
InChIKeyPZEPQXCAWUOIED-UHFFFAOYSA-N
MW291.40 g/mol
LogP5.62
Rot. Bonds4

About N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane

N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane (PubChem CID 171106670) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane.

Molecular Properties

Compound NameN-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane
PubChem CID171106670
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane
SMILESC=Cc1ccc(Nc2ccc3[nH]ccc3c2)nc1C=C.CC
InChIInChI=1S/C17H15N3.C2H6/c1-3-12-5-8-17(20-15(12)4-2)19-14-6-7-16-13(11-14)9-10-18-16;1-2/h3-11,18H,1-2H2,(H,19,20);1-2H3
InChIKeyPZEPQXCAWUOIED-UHFFFAOYSA-N
XLogP5.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.40
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane?
The IUPAC name of N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane (CID 171106670) is N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane.
What is the SMILES notation for N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane?
The canonical SMILES for N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane is C=Cc1ccc(Nc2ccc3[nH]ccc3c2)nc1C=C.CC.
What is the InChIKey of N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane?
The InChIKey is PZEPQXCAWUOIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3.C2H6/c1-3-12-5-8-17(20-15(12)4-2)19-14-6-7-16-13(11-14)9-10-18-16;1-2/h3-11,18H,1-2H2,(H,19,20);1-2H3.
What are the key properties of N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane?
N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane has a molecular weight of 291.40 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane is sourced from PubChem (CID 171106670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).