N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine

C20H19Cl2N3O2 — CID 118717606

IUPACN-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cc(CNCc2ccncc2)ccc1OCc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-26-19-9-15(11-24-10-14-4-6-23-7-5-14)2-3-18(19)27-13-16-8-17(21)20(22)25-12-16/h2-9,12,24H,10-11,13H2,1H3
InChIKeyUOBNIKLGJZUCTJ-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.66
Rot. Bonds8

About N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine

N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 118717606) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID118717606
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC NameN-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cc(CNCc2ccncc2)ccc1OCc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-26-19-9-15(11-24-10-14-4-6-23-7-5-14)2-3-18(19)27-13-16-8-17(21)20(22)25-12-16/h2-9,12,24H,10-11,13H2,1H3
InChIKeyUOBNIKLGJZUCTJ-UHFFFAOYSA-N
XLogP4.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine with MolForge

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Related Compounds

N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162172
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332699
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292580
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4719377
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
2-(4-chlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208614
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 17289276
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
CID 7228193
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol
CID 4719844

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (CID 118717606) is N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is COc1cc(CNCc2ccncc2)ccc1OCc1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is UOBNIKLGJZUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-26-19-9-15(11-24-10-14-4-6-23-7-5-14)2-3-18(19)27-13-16-8-17(21)20(22)25-12-16/h2-9,12,24H,10-11,13H2,1H3.
What are the key properties of N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 404.30 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 118717606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).