N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide

C17H20N4O3 — CID 71778578

IUPACN-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C17H20N4O3/c1-12-3-5-15(23-2)14(11-12)18-17(22)13-4-6-16(20-19-13)21-7-9-24-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,22)
InChIKeyMNSVPBCWERJLGA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.88
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide (PubChem CID 71778578) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
PubChem CID71778578
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C17H20N4O3/c1-12-3-5-15(23-2)14(11-12)18-17(22)13-4-6-16(20-19-13)21-7-9-24-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,22)
InChIKeyMNSVPBCWERJLGA-UHFFFAOYSA-N
XLogP1.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide (CID 71778578) is N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The InChIKey is MNSVPBCWERJLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-3-5-15(23-2)14(11-12)18-17(22)13-4-6-16(20-19-13)21-7-9-24-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).