[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone

C21H20N2O3 — CID 139998031

IUPAC[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)c1cccc(OCc2cccc(OC)c2)c1
InChIInChI=1S/C21H20N2O3/c1-22-21-19(10-5-11-23-21)20(24)16-7-4-9-18(13-16)26-14-15-6-3-8-17(12-15)25-2/h3-13H,14H2,1-2H3,(H,22,23)
InChIKeyLMTLINHSJKHSHE-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.94
Rot. Bonds7

About [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone

[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 139998031) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID139998031
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)c1cccc(OCc2cccc(OC)c2)c1
InChIInChI=1S/C21H20N2O3/c1-22-21-19(10-5-11-23-21)20(24)16-7-4-9-18(13-16)26-14-15-6-3-8-17(12-15)25-2/h3-13H,14H2,1-2H3,(H,22,23)
InChIKeyLMTLINHSJKHSHE-UHFFFAOYSA-N
XLogP3.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998211
N-[2-(3-methoxyphenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 107856315
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone
CID 139998060
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
(2-bromo-3-pyridinyl)-[3-[(4-methylphenyl)methoxy]phenyl]methanone
CID 139998037
(3-ethoxyphenyl)-[2-(octylamino)-3-pyridinyl]methanone
CID 139998068
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
CID 139998041
[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone
CID 139998143
[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
CID 139998122
[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998155
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998176

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone (CID 139998031) is [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone is CNc1ncccc1C(=O)c1cccc(OCc2cccc(OC)c2)c1.
What is the InChIKey of [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is LMTLINHSJKHSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-22-21-19(10-5-11-23-21)20(24)16-7-4-9-18(13-16)26-14-15-6-3-8-17(12-15)25-2/h3-13H,14H2,1-2H3,(H,22,23).
What are the key properties of [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone?
[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 348.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 139998031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).