7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine

C17H17N3 — CID 86720021

IUPAC7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine
SMILESCc1ccc(-n2ccc3cc(N)cc(C4CC4)c32)cn1
InChIInChI=1S/C17H17N3/c1-11-2-5-15(10-19-11)20-7-6-13-8-14(18)9-16(17(13)20)12-3-4-12/h2,5-10,12H,3-4,18H2,1H3
InChIKeyPXWKNDLTUVZFCF-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.79
Rot. Bonds2

About 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine

7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine (PubChem CID 86720021) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine.

Molecular Properties

Compound Name7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine
PubChem CID86720021
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine
SMILESCc1ccc(-n2ccc3cc(N)cc(C4CC4)c32)cn1
InChIInChI=1S/C17H17N3/c1-11-2-5-15(10-19-11)20-7-6-13-8-14(18)9-16(17(13)20)12-3-4-12/h2,5-10,12H,3-4,18H2,1H3
InChIKeyPXWKNDLTUVZFCF-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine?
The IUPAC name of 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine (CID 86720021) is 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine.
What is the SMILES notation for 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine?
The canonical SMILES for 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine is Cc1ccc(-n2ccc3cc(N)cc(C4CC4)c32)cn1.
What is the InChIKey of 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine?
The InChIKey is PXWKNDLTUVZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-2-5-15(10-19-11)20-7-6-13-8-14(18)9-16(17(13)20)12-3-4-12/h2,5-10,12H,3-4,18H2,1H3.
What are the key properties of 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine?
7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine is sourced from PubChem (CID 86720021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).