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

C22H18ClN5O3 — CID 57330680

IUPAC6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccc(Cl)nc2)cn1
InChIInChI=1S/C22H18ClN5O3/c1-12-4-5-13(19-20(29)22(2,3)31-28-19)8-15(12)16-10-26-18(11-24-16)27-21(30)14-6-7-17(23)25-9-14/h4-11H,1-3H3,(H,26,27,30)
InChIKeyRTZJCHTXBUTMBO-UHFFFAOYSA-N
MW435.87 g/mol
LogP3.83
Rot. Bonds4

About 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide

6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 57330680) has the molecular formula C22H18ClN5O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide
PubChem CID57330680
Molecular FormulaC22H18ClN5O3
Molecular Weight435.87 g/mol
Exact Mass435.11
IUPAC Name6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccc(Cl)nc2)cn1
InChIInChI=1S/C22H18ClN5O3/c1-12-4-5-13(19-20(29)22(2,3)31-28-19)8-15(12)16-10-26-18(11-24-16)27-21(30)14-6-7-17(23)25-9-14/h4-11H,1-3H3,(H,26,27,30)
InChIKeyRTZJCHTXBUTMBO-UHFFFAOYSA-N
XLogP3.83
TPSA106.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide (CID 57330680) is 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccc(Cl)nc2)cn1.
What is the InChIKey of 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The InChIKey is RTZJCHTXBUTMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c1-12-4-5-13(19-20(29)22(2,3)31-28-19)8-15(12)16-10-26-18(11-24-16)27-21(30)14-6-7-17(23)25-9-14/h4-11H,1-3H3,(H,26,27,30).
What are the key properties of 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide?
6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 435.87 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 57330680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).