[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone

C18H21N3O4 — CID 110171984

IUPAC[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2ccc(N)c(C(=O)N3CCOCC3)n2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-23-15-6-3-12(11-16(15)24-2)14-5-4-13(19)17(20-14)18(22)21-7-9-25-10-8-21/h3-6,11H,7-10,19H2,1-2H3
InChIKeyZIROYSOBYYJPKU-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.82
Rot. Bonds4

About [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone

[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 110171984) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID110171984
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2ccc(N)c(C(=O)N3CCOCC3)n2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-23-15-6-3-12(11-16(15)24-2)14-5-4-13(19)17(20-14)18(22)21-7-9-25-10-8-21/h3-6,11H,7-10,19H2,1-2H3
InChIKeyZIROYSOBYYJPKU-UHFFFAOYSA-N
XLogP1.82
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone (CID 110171984) is [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone is COc1ccc(-c2ccc(N)c(C(=O)N3CCOCC3)n2)cc1OC.
What is the InChIKey of [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is ZIROYSOBYYJPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-15-6-3-12(11-16(15)24-2)14-5-4-13(19)17(20-14)18(22)21-7-9-25-10-8-21/h3-6,11H,7-10,19H2,1-2H3.
What are the key properties of [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone?
[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 343.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110171984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).