N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide

C22H19N5O3 — CID 67515239

IUPACN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccccn2)cn1
InChIInChI=1S/C22H19N5O3/c1-13-7-8-14(19-20(28)22(2,3)30-27-19)10-15(13)17-11-25-18(12-24-17)26-21(29)16-6-4-5-9-23-16/h4-12H,1-3H3,(H,25,26,29)
InChIKeyRVWNXQBDTRDSJP-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.18
Rot. Bonds4

About N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide (PubChem CID 67515239) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide
PubChem CID67515239
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccccn2)cn1
InChIInChI=1S/C22H19N5O3/c1-13-7-8-14(19-20(28)22(2,3)30-27-19)10-15(13)17-11-25-18(12-24-17)26-21(29)16-6-4-5-9-23-16/h4-12H,1-3H3,(H,25,26,29)
InChIKeyRVWNXQBDTRDSJP-UHFFFAOYSA-N
XLogP3.18
TPSA106.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide (CID 67515239) is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccccn2)cn1.
What is the InChIKey of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide?
The InChIKey is RVWNXQBDTRDSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-13-7-8-14(19-20(28)22(2,3)30-27-19)10-15(13)17-11-25-18(12-24-17)26-21(29)16-6-4-5-9-23-16/h4-12H,1-3H3,(H,25,26,29).
What are the key properties of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide?
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 67515239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).