5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C19H21N3O5 — CID 25468464

IUPAC5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc2c1OCCO2
InChIInChI=1S/C19H21N3O5/c1-24-15-10-13(11-16-18(15)27-9-8-26-16)19(23)21-14-2-3-17(20-12-14)22-4-6-25-7-5-22/h2-3,10-12H,4-9H2,1H3,(H,21,23)
InChIKeyIGGUHWUHXOIKRU-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.95
Rot. Bonds4

About 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 25468464) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID25468464
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc2c1OCCO2
InChIInChI=1S/C19H21N3O5/c1-24-15-10-13(11-16-18(15)27-9-8-26-16)19(23)21-14-2-3-17(20-12-14)22-4-6-25-7-5-22/h2-3,10-12H,4-9H2,1H3,(H,21,23)
InChIKeyIGGUHWUHXOIKRU-UHFFFAOYSA-N
XLogP1.95
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide with MolForge

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Related Compounds

N-(4-iodophenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777302
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24590411
N-(4-carbamoylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777323
5-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55381900
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55664628
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707
2-(2-methoxy-4-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 55501091
7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 24628747
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 25468464) is 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is IGGUHWUHXOIKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-24-15-10-13(11-16-18(15)27-9-8-26-16)19(23)21-14-2-3-17(20-12-14)22-4-6-25-7-5-22/h2-3,10-12H,4-9H2,1H3,(H,21,23).
What are the key properties of 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 25468464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).