5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide

C23H15Cl2N3O — CID 10310004

IUPAC5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1
InChIInChI=1S/C23H15Cl2N3O/c24-18-12-6-4-10-16(18)21-22(17-11-5-7-13-19(17)25)28-20(14-26-21)23(29)27-15-8-2-1-3-9-15/h1-14H,(H,27,29)
InChIKeyOTQMQCJNTMMDQF-UHFFFAOYSA-N
MW420.30 g/mol
LogP6.37
Rot. Bonds4

About 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide

5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 10310004) has the molecular formula C23H15Cl2N3O and a molecular weight of 420.30 g/mol. Its IUPAC name is 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID10310004
Molecular FormulaC23H15Cl2N3O
Molecular Weight420.30 g/mol
Exact Mass419.06
IUPAC Name5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1
InChIInChI=1S/C23H15Cl2N3O/c24-18-12-6-4-10-16(18)21-22(17-11-5-7-13-19(17)25)28-20(14-26-21)23(29)27-15-8-2-1-3-9-15/h1-14H,(H,27,29)
InChIKeyOTQMQCJNTMMDQF-UHFFFAOYSA-N
XLogP6.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58639665
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CID 156842574
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260
2,3-dichloro-N-phenylbenzamide
CID 7732866
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-phenyl-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179724
N,2-diphenylpyrimidine-4-carboxamide
CID 139433813
6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 58639429
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
CID 58084336
CID 58084336
6-chloro-N-phenylquinazoline-2-carboxamide
CID 14528220

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide (CID 10310004) is 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide is O=C(Nc1ccccc1)c1cnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1.
What is the InChIKey of 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is OTQMQCJNTMMDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O/c24-18-12-6-4-10-16(18)21-22(17-11-5-7-13-19(17)25)28-20(14-26-21)23(29)27-15-8-2-1-3-9-15/h1-14H,(H,27,29).
What are the key properties of 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide?
5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 420.30 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 10310004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).