1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine

C15H16ClN3O — CID 87485485

IUPAC1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine
SMILESCNC1(COc2cnc(Cl)c(-c3ccncc3)c2)CC1
InChIInChI=1S/C15H16ClN3O/c1-17-15(4-5-15)10-20-12-8-13(14(16)19-9-12)11-2-6-18-7-3-11/h2-3,6-9,17H,4-5,10H2,1H3
InChIKeyKEDJAMWYKAKXBI-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.93
Rot. Bonds5

About 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine

1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine (PubChem CID 87485485) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine
PubChem CID87485485
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine
SMILESCNC1(COc2cnc(Cl)c(-c3ccncc3)c2)CC1
InChIInChI=1S/C15H16ClN3O/c1-17-15(4-5-15)10-20-12-8-13(14(16)19-9-12)11-2-6-18-7-3-11/h2-3,6-9,17H,4-5,10H2,1H3
InChIKeyKEDJAMWYKAKXBI-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.93
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 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine (CID 87485485) is 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine is CNC1(COc2cnc(Cl)c(-c3ccncc3)c2)CC1.
What is the InChIKey of 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine?
The InChIKey is KEDJAMWYKAKXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-17-15(4-5-15)10-20-12-8-13(14(16)19-9-12)11-2-6-18-7-3-11/h2-3,6-9,17H,4-5,10H2,1H3.
What are the key properties of 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine?
1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine has a molecular weight of 289.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 87485485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).