N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide

C₁₄H₁₁ClN₄O — CID 107465551

About N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide

N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide (PubChem CID 107465551) has the molecular formula C₁₄H₁₁ClN₄O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide
• PubChem CID: 107465551
• Molecular Formula: C₁₄H₁₁ClN₄O
• Molecular Weight: 286.72 g/mol
• Exact Mass: 286.06
• IUPAC Name: N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide
• SMILES: CN(C(=O)c1ccc(C#N)cn1)c1cc(Cl)ccc1N
• InChI: InChI=1S/C14H11ClN4O/c1-19(13-6-10(15)3-4-11(13)17)14(20)12-5-2-9(7-16)8-18-12/h2-6,8H,17H2,1H3
• InChIKey: BTIXPIWDZFEXLX-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 83.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.72
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide?

The IUPAC name of N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide (CID 107465551) is N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide.

What is the SMILES notation for N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide?

The canonical SMILES for N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(C#N)cn1)c1cc(Cl)ccc1N.

What is the InChIKey of N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide?

The InChIKey is BTIXPIWDZFEXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-19(13-6-10(15)3-4-11(13)17)14(20)12-5-2-9(7-16)8-18-12/h2-6,8H,17H2,1H3.

What are the key properties of N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide?

N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107465551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107465551 — identifiers, structure, computed properties (public domain)

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