N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine

C17H18FN3 — CID 3081185

IUPACN-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine
SMILESCCCN(c1ccncc1F)n1cc(C)c2ccccc21
InChIInChI=1S/C17H18FN3/c1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3
InChIKeyBTDHTARYCBHHPJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.16
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine

N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine (PubChem CID 3081185) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine
PubChem CID3081185
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC NameN-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine
SMILESCCCN(c1ccncc1F)n1cc(C)c2ccccc21
InChIInChI=1S/C17H18FN3/c1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3
InChIKeyBTDHTARYCBHHPJ-UHFFFAOYSA-N
XLogP4.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine (CID 3081185) is N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine is CCCN(c1ccncc1F)n1cc(C)c2ccccc21.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine?
The InChIKey is BTDHTARYCBHHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine?
N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine has a molecular weight of 283.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine is sourced from PubChem (CID 3081185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).