[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone

C22H23N3O3 — CID 56874345

IUPAC[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCOC(c3ccc4cc(OC)ccc4c3)C2)ccn1
InChIInChI=1S/C22H23N3O3/c1-23-21-13-18(7-8-24-21)22(26)25-9-10-28-20(14-25)17-4-3-16-12-19(27-2)6-5-15(16)11-17/h3-8,11-13,20H,9-10,14H2,1-2H3,(H,23,24)
InChIKeyJFFFUERDHQXQFS-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.50
Rot. Bonds4

About [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone

[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 56874345) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID56874345
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCOC(c3ccc4cc(OC)ccc4c3)C2)ccn1
InChIInChI=1S/C22H23N3O3/c1-23-21-13-18(7-8-24-21)22(26)25-9-10-28-20(14-25)17-4-3-16-12-19(27-2)6-5-15(16)11-17/h3-8,11-13,20H,9-10,14H2,1-2H3,(H,23,24)
InChIKeyJFFFUERDHQXQFS-UHFFFAOYSA-N
XLogP3.50
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 56874345) is [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCOC(c3ccc4cc(OC)ccc4c3)C2)ccn1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is JFFFUERDHQXQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-23-21-13-18(7-8-24-21)22(26)25-9-10-28-20(14-25)17-4-3-16-12-19(27-2)6-5-15(16)11-17/h3-8,11-13,20H,9-10,14H2,1-2H3,(H,23,24).
What are the key properties of [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 377.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 56874345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).