N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide

C20H17N7O — CID 155482723

IUPACN-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
SMILES[H]/N=C(\c1cnnc(C)c1)c1cc(NC(=O)c2ncc(C#N)cc2C)ccc1N
InChIInChI=1S/C20H17N7O/c1-11-5-13(8-21)9-24-19(11)20(28)26-15-3-4-17(22)16(7-15)18(23)14-6-12(2)27-25-10-14/h3-7,9-10,23H,22H2,1-2H3,(H,26,28)/b23-18+
InChIKeyPFYYGWYFWDSZHQ-PTGBLXJZSA-N
MW371.40 g/mol
LogP2.61
Rot. Bonds4

About N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide

N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide (PubChem CID 155482723) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
PubChem CID155482723
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC NameN-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
SMILES[H]/N=C(\c1cnnc(C)c1)c1cc(NC(=O)c2ncc(C#N)cc2C)ccc1N
InChIInChI=1S/C20H17N7O/c1-11-5-13(8-21)9-24-19(11)20(28)26-15-3-4-17(22)16(7-15)18(23)14-6-12(2)27-25-10-14/h3-7,9-10,23H,22H2,1-2H3,(H,26,28)/b23-18+
InChIKeyPFYYGWYFWDSZHQ-PTGBLXJZSA-N
XLogP2.61
TPSA141.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-3-(5-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482084
N-[4-amino-3-(6-methylpyridine-2-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155481963
N-[4-amino-3-(3-cyclopropylbenzenecarboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482000
N-[4-amino-3-(oxetane-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482246
N-[4-amino-3-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482241
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 155482677
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169
N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide
CID 155482411
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757
N-[4-amino-3-(1-methyl-2-oxopyridine-3-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482657
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 155574812
5-cyano-N-[4-(iodophosphanylamino)-3-(2-oxo-1,3-oxazole-3-carboximidoyl)phenyl]-3-methylpyridine-2-carboxamide
CID 155482264

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide (CID 155482723) is N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide is [H]/N=C(\c1cnnc(C)c1)c1cc(NC(=O)c2ncc(C#N)cc2C)ccc1N.
What is the InChIKey of N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide?
The InChIKey is PFYYGWYFWDSZHQ-PTGBLXJZSA-N. The full InChI is InChI=1S/C20H17N7O/c1-11-5-13(8-21)9-24-19(11)20(28)26-15-3-4-17(22)16(7-15)18(23)14-6-12(2)27-25-10-14/h3-7,9-10,23H,22H2,1-2H3,(H,26,28)/b23-18+.
What are the key properties of N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide?
N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 155482723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).