4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

C21H22N4O2 — CID 172656517

IUPAC4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2c(C)ccn(C(C)c3ccccc3)c2=O)cn1
InChIInChI=1S/C21H22N4O2/c1-14-9-10-25(16(3)17-7-5-4-6-8-17)21(27)19(14)20(26)24-13-18-12-22-15(2)11-23-18/h4-12,16H,13H2,1-3H3,(H,24,26)
InChIKeyPAWBXESXEGYPER-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.79
Rot. Bonds5

About 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 172656517) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID172656517
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2c(C)ccn(C(C)c3ccccc3)c2=O)cn1
InChIInChI=1S/C21H22N4O2/c1-14-9-10-25(16(3)17-7-5-4-6-8-17)21(27)19(14)20(26)24-13-18-12-22-15(2)11-23-18/h4-12,16H,13H2,1-3H3,(H,24,26)
InChIKeyPAWBXESXEGYPER-UHFFFAOYSA-N
XLogP2.79
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (CID 172656517) is 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is Cc1cnc(CNC(=O)c2c(C)ccn(C(C)c3ccccc3)c2=O)cn1.
What is the InChIKey of 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is PAWBXESXEGYPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-9-10-25(16(3)17-7-5-4-6-8-17)21(27)19(14)20(26)24-13-18-12-22-15(2)11-23-18/h4-12,16H,13H2,1-3H3,(H,24,26).
What are the key properties of 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172656517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).