N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide

C19H25N5O2 — CID 109114572

IUPACN-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C19H25N5O2/c1-3-23(4-2)16-7-5-15(6-8-16)20-19(25)17-9-10-18(22-21-17)24-11-13-26-14-12-24/h5-10H,3-4,11-14H2,1-2H3,(H,20,25)
InChIKeyNMUCRHGRGFKZND-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide

N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide (PubChem CID 109114572) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
PubChem CID109114572
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C19H25N5O2/c1-3-23(4-2)16-7-5-15(6-8-16)20-19(25)17-9-10-18(22-21-17)24-11-13-26-14-12-24/h5-10H,3-4,11-14H2,1-2H3,(H,20,25)
InChIKeyNMUCRHGRGFKZND-UHFFFAOYSA-N
XLogP2.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(4-carbamoylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028121
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805129
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
N-[4-(diethylamino)-2-methylphenyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116610
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide (CID 109114572) is N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(N3CCOCC3)nn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The InChIKey is NMUCRHGRGFKZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-23(4-2)16-7-5-15(6-8-16)20-19(25)17-9-10-18(22-21-17)24-11-13-26-14-12-24/h5-10H,3-4,11-14H2,1-2H3,(H,20,25).
What are the key properties of N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109114572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).