5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide

C16H18N4O2 — CID 646264

IUPAC5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H18N4O2/c1-12-10-18-15(11-17-12)16(21)19-13-2-4-14(5-3-13)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,19,21)
InChIKeyMRKTVQZUQWLCPD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.87
Rot. Bonds3

About 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide

5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide (PubChem CID 646264) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide
PubChem CID646264
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H18N4O2/c1-12-10-18-15(11-17-12)16(21)19-13-2-4-14(5-3-13)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,19,21)
InChIKeyMRKTVQZUQWLCPD-UHFFFAOYSA-N
XLogP1.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide (CID 646264) is 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(N3CCOCC3)cc2)cn1.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is MRKTVQZUQWLCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-10-18-15(11-17-12)16(21)19-13-2-4-14(5-3-13)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,19,21).
What are the key properties of 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 646264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).