3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine

C20H19Cl2N5O2 — CID 170220163

About 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 170220163) has the molecular formula C20H19Cl2N5O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
• PubChem CID: 170220163
• Molecular Formula: C20H19Cl2N5O2
• Molecular Weight: 432.31 g/mol
• Exact Mass: 431.09
• IUPAC Name: 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
• SMILES: Nc1ncccc1C1CC(CC2=CNC(OCc3cc(Cl)nc(Cl)c3)C=C2)=NO1
• InChI: InChI=1S/C20H19Cl2N5O2/c21-17-7-13(8-18(22)26-17)11-28-19-4-3-12(10-25-19)6-14-9-16(29-27-14)15-2-1-5-24-20(15)23/h1-5,7-8,10,16,19,25H,6,9,11H2,(H2,23,24)
• InChIKey: MWNUAIFCRVFOPV-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 94.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.31
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?

The IUPAC name of 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine (CID 170220163) is 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine.

What is the SMILES notation for 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1C1CC(CC2=CNC(OCc3cc(Cl)nc(Cl)c3)C=C2)=NO1.

What is the InChIKey of 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?

The InChIKey is MWNUAIFCRVFOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2/c21-17-7-13(8-18(22)26-17)11-28-19-4-3-12(10-25-19)6-14-9-16(29-27-14)15-2-1-5-24-20(15)23/h1-5,7-8,10,16,19,25H,6,9,11H2,(H2,23,24).

What are the key properties of 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?

3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 432.31 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[2-[(2,6-dichloro-4-pyridinyl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 170220163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).