5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide

C16H20N4O2 — CID 109271187

IUPAC5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NC(C)C)cn1
InChIInChI=1S/C16H20N4O2/c1-11(2)20-16(21)13-9-19-15(10-17-13)18-8-12-6-4-5-7-14(12)22-3/h4-7,9-11H,8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyFAERGXMTOKEITM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.24
Rot. Bonds6

About 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide

5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109271187) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109271187
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NC(C)C)cn1
InChIInChI=1S/C16H20N4O2/c1-11(2)20-16(21)13-9-19-15(10-17-13)18-8-12-6-4-5-7-14(12)22-3/h4-7,9-11H,8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyFAERGXMTOKEITM-UHFFFAOYSA-N
XLogP2.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide (CID 109271187) is 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide is COc1ccccc1CNc1cnc(C(=O)NC(C)C)cn1.
What is the InChIKey of 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is FAERGXMTOKEITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)20-16(21)13-9-19-15(10-17-13)18-8-12-6-4-5-7-14(12)22-3/h4-7,9-11H,8H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide?
5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109271187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).