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

IUPAC2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N(C)C1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1
InChIInChI=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)
InChIKeyDAGCLUSUBSLWAP-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.71
Rot. Bonds5

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 Name2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118135126
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N(C)C1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1
InChIInChI=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)
InChIKeyDAGCLUSUBSLWAP-UHFFFAOYSA-N
XLogP1.71
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).