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

C22H22ClFN4 — CID 58266800

IUPAC6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine
SMILESNc1cnc(Cl)cc1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F
InChIInChI=1S/C22H22ClFN4/c23-21-11-18(20(25)13-26-21)19-10-17(12-27-22(19)24)16-6-4-15(5-7-16)14-28-8-2-1-3-9-28/h4-7,10-13H,1-3,8-9,14,25H2
InChIKeyZHTQULFHYNRIET-UHFFFAOYSA-N
MW396.90 g/mol
LogP5.17
Rot. Bonds4

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

6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine (PubChem CID 58266800) has the molecular formula C22H22ClFN4 and a molecular weight of 396.90 g/mol. Its IUPAC name is 6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine
PubChem CID58266800
Molecular FormulaC22H22ClFN4
Molecular Weight396.90 g/mol
Exact Mass396.15
IUPAC Name6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine
SMILESNc1cnc(Cl)cc1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F
InChIInChI=1S/C22H22ClFN4/c23-21-11-18(20(25)13-26-21)19-10-17(12-27-22(19)24)16-6-4-15(5-7-16)14-28-8-2-1-3-9-28/h4-7,10-13H,1-3,8-9,14,25H2
InChIKeyZHTQULFHYNRIET-UHFFFAOYSA-N
XLogP5.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 55.17
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-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
The IUPAC name of 6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine (CID 58266800) is 6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine is Nc1cnc(Cl)cc1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F.
What is the InChIKey of 6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
The InChIKey is ZHTQULFHYNRIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4/c23-21-11-18(20(25)13-26-21)19-10-17(12-27-22(19)24)16-6-4-15(5-7-16)14-28-8-2-1-3-9-28/h4-7,10-13H,1-3,8-9,14,25H2.
What are the key properties of 6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine has a molecular weight of 396.90 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 58266800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).