N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide

C19H23N5O2 — CID 136629773

About N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide

N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide (PubChem CID 136629773) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide
• PubChem CID: 136629773
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide
• SMILES: CC(c1ccccc1)N1CC[C@@H](Nc2cnc(C=CC(=O)NO)cn2)C1
• InChI: InChI=1S/C19H23N5O2/c1-14(15-5-3-2-4-6-15)24-10-9-17(13-24)22-18-12-20-16(11-21-18)7-8-19(25)23-26/h2-8,11-12,14,17,26H,9-10,13H2,1H3,(H,21,22)(H,23,25)/t14?,17-/m1/s1
• InChIKey: SLTFVEOYNJIAGK-FBMWCMRBSA-N
• XLogP: 2.24
• TPSA: 90.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide?

The IUPAC name of N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide (CID 136629773) is N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide.

What is the SMILES notation for N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide?

The canonical SMILES for N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide is CC(c1ccccc1)N1CC[C@@H](Nc2cnc(C=CC(=O)NO)cn2)C1.

What is the InChIKey of N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide?

The InChIKey is SLTFVEOYNJIAGK-FBMWCMRBSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14(15-5-3-2-4-6-15)24-10-9-17(13-24)22-18-12-20-16(11-21-18)7-8-19(25)23-26/h2-8,11-12,14,17,26H,9-10,13H2,1H3,(H,21,22)(H,23,25)/t14?,17-/m1/s1.

What are the key properties of N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide?

N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide has a molecular weight of 353.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide is sourced from PubChem (CID 136629773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).