N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C20H22FN7O2 — CID 121271889

About N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121271889) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 121271889
• Molecular Formula: C20H22FN7O2
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.18
• IUPAC Name: N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
• SMILES: CN(CCF)CC(C=O)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
• InChI: InChI=1S/C20H22FN7O2/c1-28(5-4-21)11-15(12-29)26-16-6-14(8-23-17(16)7-22)18-9-25-19(10-24-18)27-20(30)13-2-3-13/h6,8-10,12-13,15,26H,2-5,11H2,1H3,(H,25,27,30)
• InChIKey: ULTQXQAIBYTLBY-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 123.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.44
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121271889) is N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is CN(CCF)CC(C=O)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N.

What is the InChIKey of N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?

The InChIKey is ULTQXQAIBYTLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O2/c1-28(5-4-21)11-15(12-29)26-16-6-14(8-23-17(16)7-22)18-9-25-19(10-24-18)27-20(30)13-2-3-13/h6,8-10,12-13,15,26H,2-5,11H2,1H3,(H,25,27,30).

What are the key properties of N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?

N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 411.44 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121271889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).