oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine

C17H17N3O4 — CID 67816242

IUPACoxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2ccc(-c3ccncc3)cc12.O=C(O)C(=O)O
InChIInChI=1S/C15H15N3.C2H2O4/c16-6-3-13-10-18-15-2-1-12(9-14(13)15)11-4-7-17-8-5-11;3-1(4)2(5)6/h1-2,4-5,7-10,18H,3,6,16H2;(H,3,4)(H,5,6)
InChIKeyWPFXUZYXLZXFRT-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.89
Rot. Bonds3

About oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine

oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine (PubChem CID 67816242) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Nameoxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
PubChem CID67816242
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Nameoxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2ccc(-c3ccncc3)cc12.O=C(O)C(=O)O
InChIInChI=1S/C15H15N3.C2H2O4/c16-6-3-13-10-18-15-2-1-12(9-14(13)15)11-4-7-17-8-5-11;3-1(4)2(5)6/h1-2,4-5,7-10,18H,3,6,16H2;(H,3,4)(H,5,6)
InChIKeyWPFXUZYXLZXFRT-UHFFFAOYSA-N
XLogP1.89
TPSA129.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
CID 21071579
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine
CID 10198700
2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride
CID 75366101
3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid
CID 11709509
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine?
The IUPAC name of oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine (CID 67816242) is oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine?
The canonical SMILES for oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine is NCCc1c[nH]c2ccc(-c3ccncc3)cc12.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine?
The InChIKey is WPFXUZYXLZXFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3.C2H2O4/c16-6-3-13-10-18-15-2-1-12(9-14(13)15)11-4-7-17-8-5-11;3-1(4)2(5)6/h1-2,4-5,7-10,18H,3,6,16H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine?
oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine has a molecular weight of 327.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 67816242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).