[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C18H21N3O3 — CID 16766199

IUPAC[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNc2ncccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O3/c1-23-15-6-4-14(5-7-15)13-20-17-16(3-2-8-19-17)18(22)21-9-11-24-12-10-21/h2-8H,9-13H2,1H3,(H,19,20)
InChIKeyMSTVNKZJTXHHFD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.17
Rot. Bonds5

About [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 16766199) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID16766199
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNc2ncccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O3/c1-23-15-6-4-14(5-7-15)13-20-17-16(3-2-8-19-17)18(22)21-9-11-24-12-10-21/h2-8H,9-13H2,1H3,(H,19,20)
InChIKeyMSTVNKZJTXHHFD-UHFFFAOYSA-N
XLogP2.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 16766199) is [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is COc1ccc(CNc2ncccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is MSTVNKZJTXHHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-6-4-14(5-7-15)13-20-17-16(3-2-8-19-17)18(22)21-9-11-24-12-10-21/h2-8H,9-13H2,1H3,(H,19,20).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 327.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 16766199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).