(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide

C24H28N8O2 — CID 155597423

About (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide

(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 155597423) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide
• PubChem CID: 155597423
• Molecular Formula: C24H28N8O2
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.23
• IUPAC Name: (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide
• SMILES: CNC(=O)CNc1ccc(NC(=O)[C@@H](NC[C@@H](C)c2ccc(C#N)cc2)c2cnn(C)c2)nc1
• InChI: InChI=1S/C24H28N8O2/c1-16(18-6-4-17(10-25)5-7-18)11-29-23(19-12-30-32(3)15-19)24(34)31-21-9-8-20(13-28-21)27-14-22(33)26-2/h4-9,12-13,15-16,23,27,29H,11,14H2,1-3H3,(H,26,33)(H,28,31,34)/t16-,23+/m1/s1
• InChIKey: KUNSZVRLQCJXQB-MWTRTKDXSA-N
• XLogP: 1.92
• TPSA: 136.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide?

The IUPAC name of (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 155597423) is (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide.

What is the SMILES notation for (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide?

The canonical SMILES for (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide is CNC(=O)CNc1ccc(NC(=O)[C@@H](NC[C@@H](C)c2ccc(C#N)cc2)c2cnn(C)c2)nc1.

What is the InChIKey of (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide?

The InChIKey is KUNSZVRLQCJXQB-MWTRTKDXSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-16(18-6-4-17(10-25)5-7-18)11-29-23(19-12-30-32(3)15-19)24(34)31-21-9-8-20(13-28-21)27-14-22(33)26-2/h4-9,12-13,15-16,23,27,29H,11,14H2,1-3H3,(H,26,33)(H,28,31,34)/t16-,23+/m1/s1.

What are the key properties of (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide?

(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 460.54 g/mol, XLogP of 1.92, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 155597423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).