3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine

C17H20Cl2FN3O — CID 123194440

IUPAC3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine
SMILESCN1C(c2cc(F)ncc2Cl)=CC=C(Cl)C1NCC1CCOCC1
InChIInChI=1S/C17H20Cl2FN3O/c1-23-15(12-8-16(20)21-10-14(12)19)3-2-13(18)17(23)22-9-11-4-6-24-7-5-11/h2-3,8,10-11,17,22H,4-7,9H2,1H3
InChIKeyMVBJPKCGLACNMK-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.63
Rot. Bonds4

About 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine

3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine (PubChem CID 123194440) has the molecular formula C17H20Cl2FN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine
PubChem CID123194440
Molecular FormulaC17H20Cl2FN3O
Molecular Weight372.27 g/mol
Exact Mass371.10
IUPAC Name3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine
SMILESCN1C(c2cc(F)ncc2Cl)=CC=C(Cl)C1NCC1CCOCC1
InChIInChI=1S/C17H20Cl2FN3O/c1-23-15(12-8-16(20)21-10-14(12)19)3-2-13(18)17(23)22-9-11-4-6-24-7-5-11/h2-3,8,10-11,17,22H,4-7,9H2,1H3
InChIKeyMVBJPKCGLACNMK-UHFFFAOYSA-N
XLogP3.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
CID 153338617
N-[(6-chloro-3-pyridinyl)methyl]-2-ethoxy-4-ethyl-1-methyl-5-nitro-3,4-dihydro-2H-pyridin-6-amine
CID 76307888
N-[(6-chloro-3-pyridinyl)methyl]-2-ethoxy-1,4-diethyl-5-nitro-3,4-dihydro-2H-pyridin-6-amine
CID 76311468
N-[(6-chloro-3-pyridinyl)methyl]-1,4-diethyl-5-nitro-2-propoxy-3,4-dihydro-2H-pyridin-6-amine
CID 76315053
N-[(6-chloro-3-pyridinyl)methyl]-4-ethyl-1-methyl-5-nitro-2-propoxy-3,4-dihydro-2H-pyridin-6-amine
CID 76318707
N-[(6-chloro-3-pyridinyl)methyl]-1,4-diethyl-2-methoxy-5-nitro-3,4-dihydro-2H-pyridin-6-amine
CID 76329541
N-[(6-chloro-3-pyridinyl)methyl]-4-ethyl-2-methoxy-1-methyl-5-nitro-3,4-dihydro-2H-pyridin-6-amine
CID 76329543
6-(5-chloro-2-fluoro-4-pyridinyl)-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127090
5-chloro-4-[5-fluoro-1-[4-(2-methoxyethylamino)cyclohexyl]-2-(oxan-4-ylmethylamino)-2H-pyridin-6-yl]pyridin-2-amine
CID 66954920
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 66955102
5-Chloro-4-{2-fluoro-5-[(tetrahydro-pyran-4-ylmethyl)-amino]-phenyl}-pyridin-2-ylamine
CID 67033349
3-(5-chloro-2-fluoropyridin-4-yl)-5-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)aniline
CID 67033472

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine?
The IUPAC name of 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine (CID 123194440) is 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine.
What is the SMILES notation for 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine?
The canonical SMILES for 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine is CN1C(c2cc(F)ncc2Cl)=CC=C(Cl)C1NCC1CCOCC1.
What is the InChIKey of 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine?
The InChIKey is MVBJPKCGLACNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2FN3O/c1-23-15(12-8-16(20)21-10-14(12)19)3-2-13(18)17(23)22-9-11-4-6-24-7-5-11/h2-3,8,10-11,17,22H,4-7,9H2,1H3.
What are the key properties of 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine?
3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine has a molecular weight of 372.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine is sourced from PubChem (CID 123194440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).