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

C16H13N3 — CID 10490725

IUPACN-prop-2-ynyl-N-pyridin-4-ylindol-1-amine
SMILESC#CCN(c1ccncc1)n1ccc2ccccc21
InChIInChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2
InChIKeyKUBLGYWISNGZNK-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.94
Rot. Bonds3

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

N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine (PubChem CID 10490725) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine.

Molecular Properties

Compound NameN-prop-2-ynyl-N-pyridin-4-ylindol-1-amine
PubChem CID10490725
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC NameN-prop-2-ynyl-N-pyridin-4-ylindol-1-amine
SMILESC#CCN(c1ccncc1)n1ccc2ccccc21
InChIInChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2
InChIKeyKUBLGYWISNGZNK-UHFFFAOYSA-N
XLogP2.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine?
The IUPAC name of N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine (CID 10490725) is N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine.
What is the SMILES notation for N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine?
The canonical SMILES for N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine is C#CCN(c1ccncc1)n1ccc2ccccc21.
What is the InChIKey of N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine?
The InChIKey is KUBLGYWISNGZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2.
What are the key properties of N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine?
N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine has a molecular weight of 247.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine is sourced from PubChem (CID 10490725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).