5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine

C16H17ClFN3O — CID 67043256

IUPAC5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESFc1cc(-c2cncc(NCC3CCOCC3)c2)c(Cl)cn1
InChIInChI=1S/C16H17ClFN3O/c17-15-10-21-16(18)6-14(15)12-5-13(9-19-8-12)20-7-11-1-3-22-4-2-11/h5-6,8-11,20H,1-4,7H2
InChIKeyWYROYFQKDHDQNQ-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.77
Rot. Bonds4

About 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine

5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine (PubChem CID 67043256) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine
PubChem CID67043256
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESFc1cc(-c2cncc(NCC3CCOCC3)c2)c(Cl)cn1
InChIInChI=1S/C16H17ClFN3O/c17-15-10-21-16(18)6-14(15)12-5-13(9-19-8-12)20-7-11-1-3-22-4-2-11/h5-6,8-11,20H,1-4,7H2
InChIKeyWYROYFQKDHDQNQ-UHFFFAOYSA-N
XLogP3.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine with MolForge

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Related Compounds

US11365191, Example 78
CID 153338555
N'-[5-chloro-4-[5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]propane-1,3-diamine
CID 67630488
(2R)-2-[[6-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312444
6'-Chloro-2,5'-difluoro(3,4'-bipyridin)-3'-amine
CID 58365000
[3,4'-Bipyridin]-5-amine, N-[(4-chloro-3-fluorophenyl)methyl]-
CID 11381440
N-[(4-chloro-2-fluorophenyl)methyl]-5-pyridin-4-ylpyridin-3-amine
CID 11500610
N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine
CID 11559316
N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine
CID 11632366
N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine
CID 11659973
N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine
CID 11660278
N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-3-fluoro-4-pyridinyl)pyridin-3-amine
CID 11682114
N-[(4-chloro-3-fluorophenyl)methyl]-5-pyridin-3-ylpyridin-3-amine
CID 11702388

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine (CID 67043256) is 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine is Fc1cc(-c2cncc(NCC3CCOCC3)c2)c(Cl)cn1.
What is the InChIKey of 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine?
The InChIKey is WYROYFQKDHDQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c17-15-10-21-16(18)6-14(15)12-5-13(9-19-8-12)20-7-11-1-3-22-4-2-11/h5-6,8-11,20H,1-4,7H2.
What are the key properties of 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine?
5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine has a molecular weight of 321.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 67043256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).