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

C22H17Cl2N5O3 — CID 57330681

IUPAC3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(Cl)cncc2Cl)cn1
InChIInChI=1S/C22H17Cl2N5O3/c1-11-4-5-12(19-20(30)22(2,3)32-29-19)6-13(11)16-9-27-17(10-26-16)28-21(31)18-14(23)7-25-8-15(18)24/h4-10H,1-3H3,(H,27,28,31)
InChIKeyHLZWGPWIRVRBGR-UHFFFAOYSA-N
MW470.32 g/mol
LogP4.49
Rot. Bonds4

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

3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide (PubChem CID 57330681) has the molecular formula C22H17Cl2N5O3 and a molecular weight of 470.32 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide
PubChem CID57330681
Molecular FormulaC22H17Cl2N5O3
Molecular Weight470.32 g/mol
Exact Mass469.07
IUPAC Name3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(Cl)cncc2Cl)cn1
InChIInChI=1S/C22H17Cl2N5O3/c1-11-4-5-12(19-20(30)22(2,3)32-29-19)6-13(11)16-9-27-17(10-26-16)28-21(31)18-14(23)7-25-8-15(18)24/h4-10H,1-3H3,(H,27,28,31)
InChIKeyHLZWGPWIRVRBGR-UHFFFAOYSA-N
XLogP4.49
TPSA106.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide (CID 57330681) is 3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(Cl)cncc2Cl)cn1.
What is the InChIKey of 3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The InChIKey is HLZWGPWIRVRBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O3/c1-11-4-5-12(19-20(30)22(2,3)32-29-19)6-13(11)16-9-27-17(10-26-16)28-21(31)18-14(23)7-25-8-15(18)24/h4-10H,1-3H3,(H,27,28,31).
What are the key properties of 3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide?
3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide has a molecular weight of 470.32 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 57330681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).