2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide

C26H25N5O — CID 130404962

About 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 130404962) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
• PubChem CID: 130404962
• Molecular Formula: C26H25N5O
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.21
• IUPAC Name: 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(C(C)C)c(C#N)c1
• InChI: InChI=1S/C26H25N5O/c1-16(2)24-19(13-27)10-20(14-30-24)22-12-21(7-6-17(22)3)31-25(32)18-8-9-29-23(11-18)26(4,5)15-28/h6-12,14,16H,1-5H3,(H,31,32)
• InChIKey: BCUYMNMGMWLQQQ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 102.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?

The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide (CID 130404962) is 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?

The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(C(C)C)c(C#N)c1.

What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?

The InChIKey is BCUYMNMGMWLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-16(2)24-19(13-27)10-20(14-30-24)22-12-21(7-6-17(22)3)31-25(32)18-8-9-29-23(11-18)26(4,5)15-28/h6-12,14,16H,1-5H3,(H,31,32).

What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?

2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 130404962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).