4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide

C27H25N7O — CID 176565447

IUPAC4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(/N=C(\N)c4cc(C5CC5)cnn4)ccc3C)ccn2)ccn1
InChIInChI=1S/C27H25N7O/c1-16-3-6-21(33-26(28)24-13-20(15-32-34-24)17-4-5-17)14-22(16)18-7-9-30-23(11-18)19-8-10-31-25(12-19)27(35)29-2/h3,6-15,17H,4-5H2,1-2H3,(H2,28,33)(H,29,35)
InChIKeyXUGLAQPTMXMWCC-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.18
Rot. Bonds6

About 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide

4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 176565447) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID176565447
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC Name4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(/N=C(\N)c4cc(C5CC5)cnn4)ccc3C)ccn2)ccn1
InChIInChI=1S/C27H25N7O/c1-16-3-6-21(33-26(28)24-13-20(15-32-34-24)17-4-5-17)14-22(16)18-7-9-30-23(11-18)19-8-10-31-25(12-19)27(35)29-2/h3,6-15,17H,4-5H2,1-2H3,(H2,28,33)(H,29,35)
InChIKeyXUGLAQPTMXMWCC-UHFFFAOYSA-N
XLogP4.18
TPSA119.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
CID 176572347
4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide
CID 168928933
4-[(E)-C-[(Z)-2-[5-(5-cyclopropylpyridazin-3-yl)-2-methylphenyl]-2-(methylideneamino)ethenyl]-N-[(2-hydroxyethylamino)methyl]carbonimidoyl]-N-methylpyridine-2-carboxamide
CID 176565439
4-[6-(5-amino-4-fluoro-2-methylphenyl)pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 168928827
4-[4-[5-[(E)-3-(2-fluoro-2-methylpropanimidoyl)iminoprop-1-enyl]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 168930656
5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine
CID 176565500
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
CID 176572579
4-(4-cyclopropyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 154794734
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
CID 176565436
N-[4-methyl-3-[2-[2-[(1-methylcyclobutanecarbonyl)amino]-4-pyridinyl]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176572492
6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168928767

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide (CID 176565447) is 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cc(-c3cc(/N=C(\N)c4cc(C5CC5)cnn4)ccc3C)ccn2)ccn1.
What is the InChIKey of 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is XUGLAQPTMXMWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-16-3-6-21(33-26(28)24-13-20(15-32-34-24)17-4-5-17)14-22(16)18-7-9-30-23(11-18)19-8-10-31-25(12-19)27(35)29-2/h3,6-15,17H,4-5H2,1-2H3,(H2,28,33)(H,29,35).
What are the key properties of 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176565447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).