N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine

C20H24N4O2 — CID 119127589

IUPACN-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCOc1ccc(CNCCn2cc(C)cn2)cc1OCc1cccnc1
InChIInChI=1S/C20H24N4O2/c1-16-11-23-24(14-16)9-8-22-12-17-5-6-19(25-2)20(10-17)26-15-18-4-3-7-21-13-18/h3-7,10-11,13-14,22H,8-9,12,15H2,1-2H3
InChIKeyGSMVJVMPKFDORK-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.96
Rot. Bonds9

About N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine

N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine (PubChem CID 119127589) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
PubChem CID119127589
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCOc1ccc(CNCCn2cc(C)cn2)cc1OCc1cccnc1
InChIInChI=1S/C20H24N4O2/c1-16-11-23-24(14-16)9-8-22-12-17-5-6-19(25-2)20(10-17)26-15-18-4-3-7-21-13-18/h3-7,10-11,13-14,22H,8-9,12,15H2,1-2H3
InChIKeyGSMVJVMPKFDORK-UHFFFAOYSA-N
XLogP2.96
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127593
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 119111433
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 119122611
N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 38050827
N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine
CID 86984400
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 6473319
N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide
CID 119129107
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113
1-(3-butoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39423559

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The IUPAC name of N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine (CID 119127589) is N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine is COc1ccc(CNCCn2cc(C)cn2)cc1OCc1cccnc1.
What is the InChIKey of N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The InChIKey is GSMVJVMPKFDORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-16-11-23-24(14-16)9-8-22-12-17-5-6-19(25-2)20(10-17)26-15-18-4-3-7-21-13-18/h3-7,10-11,13-14,22H,8-9,12,15H2,1-2H3.
What are the key properties of N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine has a molecular weight of 352.44 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 119127589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).