N-prop-2-enyl-N-pyridin-4-ylindol-1-amine

C16H15N3 — CID 14601687

IUPACN-prop-2-enyl-N-pyridin-4-ylindol-1-amine
SMILESC=CCN(c1ccncc1)n1ccc2ccccc21
InChIInChI=1S/C16H15N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h2-11,13H,1,12H2
InChIKeyHPHYXLXHERUQOH-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.49
Rot. Bonds4

About N-prop-2-enyl-N-pyridin-4-ylindol-1-amine

N-prop-2-enyl-N-pyridin-4-ylindol-1-amine (PubChem CID 14601687) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-prop-2-enyl-N-pyridin-4-ylindol-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-pyridin-4-ylindol-1-amine
PubChem CID14601687
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-prop-2-enyl-N-pyridin-4-ylindol-1-amine
SMILESC=CCN(c1ccncc1)n1ccc2ccccc21
InChIInChI=1S/C16H15N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h2-11,13H,1,12H2
InChIKeyHPHYXLXHERUQOH-UHFFFAOYSA-N
XLogP3.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-pyridin-4-ylindol-1-amine?
The IUPAC name of N-prop-2-enyl-N-pyridin-4-ylindol-1-amine (CID 14601687) is N-prop-2-enyl-N-pyridin-4-ylindol-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-pyridin-4-ylindol-1-amine?
The canonical SMILES for N-prop-2-enyl-N-pyridin-4-ylindol-1-amine is C=CCN(c1ccncc1)n1ccc2ccccc21.
What is the InChIKey of N-prop-2-enyl-N-pyridin-4-ylindol-1-amine?
The InChIKey is HPHYXLXHERUQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h2-11,13H,1,12H2.
What are the key properties of N-prop-2-enyl-N-pyridin-4-ylindol-1-amine?
N-prop-2-enyl-N-pyridin-4-ylindol-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-pyridin-4-ylindol-1-amine is sourced from PubChem (CID 14601687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).