N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine

C16H16FN3 — CID 19802668

IUPACN-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine
SMILESCCCN(c1ccncc1F)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16FN3/c1-2-9-20(15-7-8-18-10-13(15)17)16-11-19-14-6-4-3-5-12(14)16/h3-8,10-11,19H,2,9H2,1H3
InChIKeyHLJYLYDPEHAAAQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.25
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine

N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine (PubChem CID 19802668) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine
PubChem CID19802668
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC NameN-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine
SMILESCCCN(c1ccncc1F)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16FN3/c1-2-9-20(15-7-8-18-10-13(15)17)16-11-19-14-6-4-3-5-12(14)16/h3-8,10-11,19H,2,9H2,1H3
InChIKeyHLJYLYDPEHAAAQ-UHFFFAOYSA-N
XLogP4.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine (CID 19802668) is N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine is CCCN(c1ccncc1F)c1c[nH]c2ccccc12.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine?
The InChIKey is HLJYLYDPEHAAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-2-9-20(15-7-8-18-10-13(15)17)16-11-19-14-6-4-3-5-12(14)16/h3-8,10-11,19H,2,9H2,1H3.
What are the key properties of N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine?
N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine has a molecular weight of 269.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-N-propyl-1H-indol-3-amine is sourced from PubChem (CID 19802668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).