6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine

C25H21FN4 — CID 89033754

IUPAC6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine
SMILESC=C(Cc1ccc(-c2ccnc(C)c2)nc1)Nc1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C25H21FN4/c1-17-13-21(10-11-27-17)24-8-6-19(15-28-24)12-18(2)30-23-7-9-25(29-16-23)20-4-3-5-22(26)14-20/h3-11,13-16,30H,2,12H2,1H3
InChIKeyLRGYCCTXJKQELL-UHFFFAOYSA-N
MW396.47 g/mol
LogP5.82
Rot. Bonds6

About 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine

6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine (PubChem CID 89033754) has the molecular formula C25H21FN4 and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine
PubChem CID89033754
Molecular FormulaC25H21FN4
Molecular Weight396.47 g/mol
Exact Mass396.18
IUPAC Name6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine
SMILESC=C(Cc1ccc(-c2ccnc(C)c2)nc1)Nc1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C25H21FN4/c1-17-13-21(10-11-27-17)24-8-6-19(15-28-24)12-18(2)30-23-7-9-25(29-16-23)20-4-3-5-22(26)14-20/h3-11,13-16,30H,2,12H2,1H3
InChIKeyLRGYCCTXJKQELL-UHFFFAOYSA-N
XLogP5.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine with MolForge

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Related Compounds

4,4'-Dimethyl-2,2'-bipyridine
CID 14338
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
BC-1215
CID 72201045
Anabasamine
CID 161313
N-3-Pyridinyl-9-acridinamine
CID 53313
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
[4-(4-Methylpiperazinyl)phenyl]-4-quinolylamine
CID 4567175
4-[1-ethyl-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 11012564
3-(4-Fluorophenyl)-2-(pyridin-4-yl)-1h-pyrrolo[3,2-b]pyridine
CID 11833097
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine?
The IUPAC name of 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine (CID 89033754) is 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine?
The canonical SMILES for 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine is C=C(Cc1ccc(-c2ccnc(C)c2)nc1)Nc1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine?
The InChIKey is LRGYCCTXJKQELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4/c1-17-13-21(10-11-27-17)24-8-6-19(15-28-24)12-18(2)30-23-7-9-25(29-16-23)20-4-3-5-22(26)14-20/h3-11,13-16,30H,2,12H2,1H3.
What are the key properties of 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine?
6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine has a molecular weight of 396.47 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]prop-1-en-2-yl]pyridin-3-amine is sourced from PubChem (CID 89033754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).