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

C22H19N5O2 — CID 172673671

IUPAC4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide
SMILESCc1cnc(Cn2ccc(C)c(C(=O)Nc3ccc4ccccc4n3)c2=O)cn1
InChIInChI=1S/C22H19N5O2/c1-14-9-10-27(13-17-12-23-15(2)11-24-17)22(29)20(14)21(28)26-19-8-7-16-5-3-4-6-18(16)25-19/h3-12H,13H2,1-2H3,(H,25,26,28)
InChIKeyPEHONPQNPKSGCA-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.10
Rot. Bonds4

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

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide (PubChem CID 172673671) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide
PubChem CID172673671
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide
SMILESCc1cnc(Cn2ccc(C)c(C(=O)Nc3ccc4ccccc4n3)c2=O)cn1
InChIInChI=1S/C22H19N5O2/c1-14-9-10-27(13-17-12-23-15(2)11-24-17)22(29)20(14)21(28)26-19-8-7-16-5-3-4-6-18(16)25-19/h3-12H,13H2,1-2H3,(H,25,26,28)
InChIKeyPEHONPQNPKSGCA-UHFFFAOYSA-N
XLogP3.10
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide?
The IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide (CID 172673671) is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide?
The canonical SMILES for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide is Cc1cnc(Cn2ccc(C)c(C(=O)Nc3ccc4ccccc4n3)c2=O)cn1.
What is the InChIKey of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide?
The InChIKey is PEHONPQNPKSGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14-9-10-27(13-17-12-23-15(2)11-24-17)22(29)20(14)21(28)26-19-8-7-16-5-3-4-6-18(16)25-19/h3-12H,13H2,1-2H3,(H,25,26,28).
What are the key properties of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide?
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-quinolin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 172673671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).