[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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Related Compounds

[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone
CID 19005849
[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 30859847
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 59647833
2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 143254060
[1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone
CID 19002371
[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 18444282
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 8693106
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276428
[5-bromo-3-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 19002375
[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
CID 11742058
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
CID 118728549

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).