ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine

C20H22N6 — CID 143262105

IUPACethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine
SMILESCC.Nc1cccc2c1ccn2Cc1ccnc(Nc2cnccn2)c1
InChIInChI=1S/C18H16N6.C2H6/c19-15-2-1-3-16-14(15)5-9-24(16)12-13-4-6-21-17(10-13)23-18-11-20-7-8-22-18;1-2/h1-11H,12,19H2,(H,21,22,23);1-2H3
InChIKeyLHZKQCFKMIOEBV-UHFFFAOYSA-N
MW346.44 g/mol
LogP4.23
Rot. Bonds4

About ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine

ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine (PubChem CID 143262105) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine.

Molecular Properties

Compound Nameethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine
PubChem CID143262105
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Nameethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine
SMILESCC.Nc1cccc2c1ccn2Cc1ccnc(Nc2cnccn2)c1
InChIInChI=1S/C18H16N6.C2H6/c19-15-2-1-3-16-14(15)5-9-24(16)12-13-4-6-21-17(10-13)23-18-11-20-7-8-22-18;1-2/h1-11H,12,19H2,(H,21,22,23);1-2H3
InChIKeyLHZKQCFKMIOEBV-UHFFFAOYSA-N
XLogP4.23
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine?
The IUPAC name of ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine (CID 143262105) is ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine.
What is the SMILES notation for ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine?
The canonical SMILES for ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine is CC.Nc1cccc2c1ccn2Cc1ccnc(Nc2cnccn2)c1.
What is the InChIKey of ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine?
The InChIKey is LHZKQCFKMIOEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6.C2H6/c19-15-2-1-3-16-14(15)5-9-24(16)12-13-4-6-21-17(10-13)23-18-11-20-7-8-22-18;1-2/h1-11H,12,19H2,(H,21,22,23);1-2H3.
What are the key properties of ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine?
ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine has a molecular weight of 346.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-amine is sourced from PubChem (CID 143262105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).