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

C25H21F2N5O — CID 155209313

IUPAC3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCc3ccccc3F)c(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C25H21F2N5O/c1-14-11-18(12-15(2)30-14)22-21(16-7-9-19(26)10-8-16)32-24(28)23(31-22)25(33)29-13-17-5-3-4-6-20(17)27/h3-12H,13H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyOMGHKDXZUABNKJ-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.61
Rot. Bonds5

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

3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 155209313) has the molecular formula C25H21F2N5O and a molecular weight of 445.47 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID155209313
Molecular FormulaC25H21F2N5O
Molecular Weight445.47 g/mol
Exact Mass445.17
IUPAC Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCc3ccccc3F)c(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C25H21F2N5O/c1-14-11-18(12-15(2)30-14)22-21(16-7-9-19(26)10-8-16)32-24(28)23(31-22)25(33)29-13-17-5-3-4-6-20(17)27/h3-12H,13H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyOMGHKDXZUABNKJ-UHFFFAOYSA-N
XLogP4.61
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 155209313) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide is Cc1cc(-c2nc(C(=O)NCc3ccccc3F)c(N)nc2-c2ccc(F)cc2)cc(C)n1.
What is the InChIKey of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is OMGHKDXZUABNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O/c1-14-11-18(12-15(2)30-14)22-21(16-7-9-19(26)10-8-16)32-24(28)23(31-22)25(33)29-13-17-5-3-4-6-20(17)27/h3-12H,13H2,1-2H3,(H2,28,32)(H,29,33).
What are the key properties of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155209313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).