[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone

C20H25N3O4 — CID 109206428

IUPAC[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CCNc2ccnc(C(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-25-18-4-3-15(13-19(18)26-2)5-7-21-16-6-8-22-17(14-16)20(24)23-9-11-27-12-10-23/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3,(H,21,22)
InChIKeyNBYCOQVTWTUVHR-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.23
Rot. Bonds7

About [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone

[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109206428) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109206428
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CCNc2ccnc(C(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-25-18-4-3-15(13-19(18)26-2)5-7-21-16-6-8-22-17(14-16)20(24)23-9-11-27-12-10-23/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3,(H,21,22)
InChIKeyNBYCOQVTWTUVHR-UHFFFAOYSA-N
XLogP2.23
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208435
[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204409
4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202900
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109206544
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276428
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 10365210
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584
1-[2-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]ethyl]imidazolidin-2-one
CID 56882413
(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109208424

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone (CID 109206428) is [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone is COc1ccc(CCNc2ccnc(C(=O)N3CCOCC3)c2)cc1OC.
What is the InChIKey of [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is NBYCOQVTWTUVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-18-4-3-15(13-19(18)26-2)5-7-21-16-6-8-22-17(14-16)20(24)23-9-11-27-12-10-23/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3,(H,21,22).
What are the key properties of [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone?
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 371.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109206428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).