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

C20H20ClN3O2 — CID 4719731

IUPACN-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C20H20ClN3O2/c1-25-19-10-16(12-23-11-15-6-8-22-9-7-15)2-4-18(19)26-14-17-3-5-20(21)24-13-17/h2-10,13,23H,11-12,14H2,1H3
InChIKeyGFBDSTUDOJAFSZ-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.01
Rot. Bonds8

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

N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 4719731) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID4719731
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C20H20ClN3O2/c1-25-19-10-16(12-23-11-15-6-8-22-9-7-15)2-4-18(19)26-14-17-3-5-20(21)24-13-17/h2-10,13,23H,11-12,14H2,1H3
InChIKeyGFBDSTUDOJAFSZ-UHFFFAOYSA-N
XLogP4.01
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-((6-chloropyridin-3-yl)methoxy)-3-methoxybenzyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 4719406
SBE13 hydrochloride
CID 11948807
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
(3,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746772
Pyridin-4-ylmethyl-(3,4,5-trimethoxy-benzyl)-amine hydrochloride
CID 24746782
4-[(R)-2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-ethyl]-pyridine
CID 9953237
2-(2-Fluoro-6-methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44131466
4-[(R)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-ethyl]-pyridine
CID 44282464
4-(2,5-Dichlorophenoxy)-3-[2-(4-pyridyl)ethoxy]benzonitrile
CID 56925666
Benzenemethanol, 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxy-
CID 1941971

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (CID 4719731) is N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)nc1.
What is the InChIKey of N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is GFBDSTUDOJAFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-25-19-10-16(12-23-11-15-6-8-22-9-7-15)2-4-18(19)26-14-17-3-5-20(21)24-13-17/h2-10,13,23H,11-12,14H2,1H3.
What are the key properties of N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 369.85 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 4719731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).