N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide

C21H19N5O3 — CID 168925499

IUPACN-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCC(C)Oc1cc(-c2cncc(NC(=O)c3ccc(=O)n(C)c3)n2)ccc1C#N
InChIInChI=1S/C21H19N5O3/c1-13(2)29-18-8-14(4-5-15(18)9-22)17-10-23-11-19(24-17)25-21(28)16-6-7-20(27)26(3)12-16/h4-8,10-13H,1-3H3,(H,24,25,28)
InChIKeyOMPTXVJXOWEIAZ-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.75
Rot. Bonds5

About N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide

N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 168925499) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID168925499
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCC(C)Oc1cc(-c2cncc(NC(=O)c3ccc(=O)n(C)c3)n2)ccc1C#N
InChIInChI=1S/C21H19N5O3/c1-13(2)29-18-8-14(4-5-15(18)9-22)17-10-23-11-19(24-17)25-21(28)16-6-7-20(27)26(3)12-16/h4-8,10-13H,1-3H3,(H,24,25,28)
InChIKeyOMPTXVJXOWEIAZ-UHFFFAOYSA-N
XLogP2.75
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 141478656
1-methyl-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 110693057
6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 52947194
3-cyano-N-[4-hydroxy-1-[4-(1-methyl-2-prop-1-en-2-ylimidazol-4-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 68651912
N-[1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652058
(2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
CID 168925562
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 139521826
4-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 175843856
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75392662
1-methyl-6-oxo-N-trimethylsilylpyridine-3-carboxamide
CID 610623
N-(3-acetylphenyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693091
N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-5,8-dioxaspiro[3.4]octane-2-carboxamide
CID 168925488

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide (CID 168925499) is N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide is CC(C)Oc1cc(-c2cncc(NC(=O)c3ccc(=O)n(C)c3)n2)ccc1C#N.
What is the InChIKey of N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is OMPTXVJXOWEIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(2)29-18-8-14(4-5-15(18)9-22)17-10-23-11-19(24-17)25-21(28)16-6-7-20(27)26(3)12-16/h4-8,10-13H,1-3H3,(H,24,25,28).
What are the key properties of N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 168925499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).