6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide

C24H25N7O4S — CID 163387276

About 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide

6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide (PubChem CID 163387276) has the molecular formula C24H25N7O4S and a molecular weight of 507.58 g/mol. Its IUPAC name is 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
• PubChem CID: 163387276
• Molecular Formula: C24H25N7O4S
• Molecular Weight: 507.58 g/mol
• Exact Mass: 507.17
• IUPAC Name: 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
• SMILES: CONC(=O)c1cnc(Nc2ccc(C#N)cn2)cc1Nc1ccc(C2CC2)cc1N(C)S(C)(=O)=O
• InChI: InChI=1S/C24H25N7O4S/c1-31(36(3,33)34)21-10-17(16-5-6-16)7-8-19(21)28-20-11-23(27-14-18(20)24(32)30-35-2)29-22-9-4-15(12-25)13-26-22/h4,7-11,13-14,16H,5-6H2,1-3H3,(H,30,32)(H2,26,27,28,29)
• InChIKey: ZXRVWANTGNCGDN-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 149.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.58
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?

The IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide (CID 163387276) is 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide.

What is the SMILES notation for 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?

The canonical SMILES for 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide is CONC(=O)c1cnc(Nc2ccc(C#N)cn2)cc1Nc1ccc(C2CC2)cc1N(C)S(C)(=O)=O.

What is the InChIKey of 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?

The InChIKey is ZXRVWANTGNCGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4S/c1-31(36(3,33)34)21-10-17(16-5-6-16)7-8-19(21)28-20-11-23(27-14-18(20)24(32)30-35-2)29-22-9-4-15(12-25)13-26-22/h4,7-11,13-14,16H,5-6H2,1-3H3,(H,30,32)(H2,26,27,28,29).

What are the key properties of 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?

6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide has a molecular weight of 507.58 g/mol, XLogP of 3.40, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide is sourced from PubChem (CID 163387276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).