2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H26N6O2 — CID 118135126

About 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118135126) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 118135126
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.21
• IUPAC Name: 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C=CC(=O)N(C)C1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1
• InChI: InChI=1S/C19H26N6O2/c1-5-16(26)24(4)13-6-8-25(9-7-13)15-11-21-18-17(23-15)14(10-20-18)19(27)22-12(2)3/h5,10-13H,1,6-9H2,2-4H3,(H,20,21)(H,22,27)
• InChIKey: DAGCLUSUBSLWAP-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118135126) is 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N(C)C1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1.

What is the InChIKey of 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is DAGCLUSUBSLWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-5-16(26)24(4)13-6-8-25(9-7-13)15-11-21-18-17(23-15)14(10-20-18)19(27)22-12(2)3/h5,10-13H,1,6-9H2,2-4H3,(H,20,21)(H,22,27).

What are the key properties of 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118135126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).