[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone

C26H29N3O3 — CID 127250394

IUPAC[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCOc1cccc(-c2ccc(C3CN(C(=O)c4cccc(CN(C)C)c4)CCO3)nc2)c1
InChIInChI=1S/C26H29N3O3/c1-28(2)17-19-6-4-8-21(14-19)26(30)29-12-13-32-25(18-29)24-11-10-22(16-27-24)20-7-5-9-23(15-20)31-3/h4-11,14-16,25H,12-13,17-18H2,1-3H3
InChIKeyWGNPHVPJISRTIY-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.03
Rot. Bonds6

About [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone

[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 127250394) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID127250394
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCOc1cccc(-c2ccc(C3CN(C(=O)c4cccc(CN(C)C)c4)CCO3)nc2)c1
InChIInChI=1S/C26H29N3O3/c1-28(2)17-19-6-4-8-21(14-19)26(30)29-12-13-32-25(18-29)24-11-10-22(16-27-24)20-7-5-9-23(15-20)31-3/h4-11,14-16,25H,12-13,17-18H2,1-3H3
InChIKeyWGNPHVPJISRTIY-UHFFFAOYSA-N
XLogP4.03
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250449
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671
[3-(hydroxymethyl)phenyl]-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95468929
4-[(4-fluorophenyl)methyl]-2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250272
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
[3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 119073175
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 92604247
N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide
CID 127252304
1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 127250400
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125009284

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone (CID 127250394) is [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone is COc1cccc(-c2ccc(C3CN(C(=O)c4cccc(CN(C)C)c4)CCO3)nc2)c1.
What is the InChIKey of [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is WGNPHVPJISRTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-28(2)17-19-6-4-8-21(14-19)26(30)29-12-13-32-25(18-29)24-11-10-22(16-27-24)20-7-5-9-23(15-20)31-3/h4-11,14-16,25H,12-13,17-18H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone?
[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 127250394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).