6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine

C17H19ClFN3O — CID 58127090

IUPAC6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCc1ccc(NCC2CCOCC2)nc1-c1cc(F)ncc1Cl
InChIInChI=1S/C17H19ClFN3O/c1-11-2-3-16(21-9-12-4-6-23-7-5-12)22-17(11)13-8-15(19)20-10-14(13)18/h2-3,8,10,12H,4-7,9H2,1H3,(H,21,22)
InChIKeyBDGKREFFLPNKOE-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.08
Rot. Bonds4

About 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine

6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 58127090) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID58127090
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC Name6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCc1ccc(NCC2CCOCC2)nc1-c1cc(F)ncc1Cl
InChIInChI=1S/C17H19ClFN3O/c1-11-2-3-16(21-9-12-4-6-23-7-5-12)22-17(11)13-8-15(19)20-10-14(13)18/h2-3,8,10,12H,4-7,9H2,1H3,(H,21,22)
InChIKeyBDGKREFFLPNKOE-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 58127090) is 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine is Cc1ccc(NCC2CCOCC2)nc1-c1cc(F)ncc1Cl.
What is the InChIKey of 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is BDGKREFFLPNKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O/c1-11-2-3-16(21-9-12-4-6-23-7-5-12)22-17(11)13-8-15(19)20-10-14(13)18/h2-3,8,10,12H,4-7,9H2,1H3,(H,21,22).
What are the key properties of 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 335.81 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 58127090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).