6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine

C24H24ClFN4 — CID 58266301

IUPAC6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine
SMILESC=Cc1c(Cl)ncc(N)c1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F
InChIInChI=1S/C24H24ClFN4/c1-2-19-22(21(27)14-28-23(19)25)20-12-18(13-29-24(20)26)17-8-6-16(7-9-17)15-30-10-4-3-5-11-30/h2,6-9,12-14H,1,3-5,10-11,15,27H2
InChIKeyJGRSQPQJYBZKMV-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.81
Rot. Bonds5

About 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine

6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine (PubChem CID 58266301) has the molecular formula C24H24ClFN4 and a molecular weight of 422.94 g/mol. Its IUPAC name is 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine
PubChem CID58266301
Molecular FormulaC24H24ClFN4
Molecular Weight422.94 g/mol
Exact Mass422.17
IUPAC Name6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine
SMILESC=Cc1c(Cl)ncc(N)c1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F
InChIInChI=1S/C24H24ClFN4/c1-2-19-22(21(27)14-28-23(19)25)20-12-18(13-29-24(20)26)17-8-6-16(7-9-17)15-30-10-4-3-5-11-30/h2,6-9,12-14H,1,3-5,10-11,15,27H2
InChIKeyJGRSQPQJYBZKMV-UHFFFAOYSA-N
XLogP5.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
The IUPAC name of 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine (CID 58266301) is 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine is C=Cc1c(Cl)ncc(N)c1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F.
What is the InChIKey of 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
The InChIKey is JGRSQPQJYBZKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4/c1-2-19-22(21(27)14-28-23(19)25)20-12-18(13-29-24(20)26)17-8-6-16(7-9-17)15-30-10-4-3-5-11-30/h2,6-9,12-14H,1,3-5,10-11,15,27H2.
What are the key properties of 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine has a molecular weight of 422.94 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethenyl-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 58266301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).