6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide

C24H28N8O3 — CID 90753862

IUPAC6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide
SMILES[H]/N=C(\Cc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1)n1nc(C(=O)NC)cc/c1=N\[H]
InChIInChI=1S/C24H28N8O3/c1-27-24(33)20-5-6-21(25)32(30-20)22(26)14-17-3-2-4-18(13-17)23-28-15-19(16-29-23)35-12-9-31-7-10-34-11-8-31/h2-6,13,15-16,25-26H,7-12,14H2,1H3,(H,27,33)/b25-21+,26-22+
InChIKeyHAYKEUONUXDNNK-CDTUYSNOSA-N
MW476.54 g/mol
LogP0.96
Rot. Bonds8

About 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide

6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide (PubChem CID 90753862) has the molecular formula C24H28N8O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide
PubChem CID90753862
Molecular FormulaC24H28N8O3
Molecular Weight476.54 g/mol
Exact Mass476.23
IUPAC Name6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide
SMILES[H]/N=C(\Cc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1)n1nc(C(=O)NC)cc/c1=N\[H]
InChIInChI=1S/C24H28N8O3/c1-27-24(33)20-5-6-21(25)32(30-20)22(26)14-17-3-2-4-18(13-17)23-28-15-19(16-29-23)35-12-9-31-7-10-34-11-8-31/h2-6,13,15-16,25-26H,7-12,14H2,1H3,(H,27,33)/b25-21+,26-22+
InChIKeyHAYKEUONUXDNNK-CDTUYSNOSA-N
XLogP0.96
TPSA142.10 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-[5-[2-(dimethylamino)ethoxy]pyrimidin-2-yl]phenyl]ethanimidoyl]-6-imino-N,N-dimethylpyridazine-3-carboxamide
CID 89054218
4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride
CID 66985501
5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine
CID 88934760
3-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 46833194
6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 46836396
CID 58289690
CID 58289690
3-[1-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 68509959
4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
CID 90937313
4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
CID 58289756
N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline
CID 58289700
N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 122609252
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524

Frequently Asked Questions

What is the IUPAC name of 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide?
The IUPAC name of 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide (CID 90753862) is 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide is [H]/N=C(\Cc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1)n1nc(C(=O)NC)cc/c1=N\[H].
What is the InChIKey of 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide?
The InChIKey is HAYKEUONUXDNNK-CDTUYSNOSA-N. The full InChI is InChI=1S/C24H28N8O3/c1-27-24(33)20-5-6-21(25)32(30-20)22(26)14-17-3-2-4-18(13-17)23-28-15-19(16-29-23)35-12-9-31-7-10-34-11-8-31/h2-6,13,15-16,25-26H,7-12,14H2,1H3,(H,27,33)/b25-21+,26-22+.
What are the key properties of 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide?
6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide is sourced from PubChem (CID 90753862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).