3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine

C23H20FN5 — CID 66829371

IUPAC3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine
SMILESCN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1F
InChIInChI=1S/C23H20FN5/c1-29(19-8-4-11-26-16-19)23-17(6-3-13-28-23)14-21(18-7-2-10-25-15-18)20-9-5-12-27-22(20)24/h2-13,15-16,21H,14H2,1H3
InChIKeyMBGMRLXPUBVNQM-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.55
Rot. Bonds6

About 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine

3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine (PubChem CID 66829371) has the molecular formula C23H20FN5 and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine
PubChem CID66829371
Molecular FormulaC23H20FN5
Molecular Weight385.45 g/mol
Exact Mass385.17
IUPAC Name3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine
SMILESCN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1F
InChIInChI=1S/C23H20FN5/c1-29(19-8-4-11-26-16-19)23-17(6-3-13-28-23)14-21(18-7-2-10-25-15-18)20-9-5-12-27-22(20)24/h2-13,15-16,21H,14H2,1H3
InChIKeyMBGMRLXPUBVNQM-UHFFFAOYSA-N
XLogP4.55
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 16662379
3-(2,2-dipyridin-3-ylethyl)-N-ethyl-N-pyridin-3-ylpyridin-2-amine
CID 16662535
2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol
CID 69140971
(R)-(2-fluoro-3-pyridinyl)-pyridin-3-ylmethanol
CID 86334771
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine
CID 67264770
3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
CID 66829446
4-[2-[2-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)-3-pyridinyl]-1-pyridin-3-ylethyl]benzonitrile;6-[2-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-1-pyridin-3-ylethyl]pyridin-2-amine
CID 66829580
2-(4-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829368
3-(2,2-dipyridin-3-ylethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 16663116
2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824754
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine (CID 66829371) is 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine is CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1F.
What is the InChIKey of 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine?
The InChIKey is MBGMRLXPUBVNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5/c1-29(19-8-4-11-26-16-19)23-17(6-3-13-28-23)14-21(18-7-2-10-25-15-18)20-9-5-12-27-22(20)24/h2-13,15-16,21H,14H2,1H3.
What are the key properties of 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine?
3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine has a molecular weight of 385.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 66829371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).