3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide

C24H19ClFN5O — CID 175551354

IUPAC3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3ccccc3Cl)c(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C24H19ClFN5O/c1-13-11-16(12-14(2)28-13)21-20(15-7-9-17(26)10-8-15)31-23(27)22(30-21)24(32)29-19-6-4-3-5-18(19)25/h3-12H,1-2H3,(H2,27,31)(H,29,32)
InChIKeyMJRNGLVMCFLMDW-UHFFFAOYSA-N
MW447.90 g/mol
LogP5.45
Rot. Bonds4

About 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide

3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 175551354) has the molecular formula C24H19ClFN5O and a molecular weight of 447.90 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID175551354
Molecular FormulaC24H19ClFN5O
Molecular Weight447.90 g/mol
Exact Mass447.13
IUPAC Name3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3ccccc3Cl)c(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C24H19ClFN5O/c1-13-11-16(12-14(2)28-13)21-20(15-7-9-17(26)10-8-15)31-23(27)22(30-21)24(32)29-19-6-4-3-5-18(19)25/h3-12H,1-2H3,(H2,27,31)(H,29,32)
InChIKeyMJRNGLVMCFLMDW-UHFFFAOYSA-N
XLogP5.45
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.90
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide (CID 175551354) is 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide is Cc1cc(-c2nc(C(=O)Nc3ccccc3Cl)c(N)nc2-c2ccc(F)cc2)cc(C)n1.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is MJRNGLVMCFLMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O/c1-13-11-16(12-14(2)28-13)21-20(15-7-9-17(26)10-8-15)31-23(27)22(30-21)24(32)29-19-6-4-3-5-18(19)25/h3-12H,1-2H3,(H2,27,31)(H,29,32).
What are the key properties of 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide?
3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 447.90 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 175551354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).