N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C19H18F3N5O2 — CID 54760133

IUPACN-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CC(N)=NC(C)(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)C1=O
InChIInChI=1S/C19H18F3N5O2/c1-18(17(29)27(2)10-15(23)26-18)11-4-3-5-13(8-11)25-16(28)14-7-6-12(9-24-14)19(20,21)22/h3-9H,10H2,1-2H3,(H2,23,26)(H,25,28)
InChIKeySLPXAQFTHUFTML-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.40
Rot. Bonds3

About N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 54760133) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID54760133
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC NameN-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CC(N)=NC(C)(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)C1=O
InChIInChI=1S/C19H18F3N5O2/c1-18(17(29)27(2)10-15(23)26-18)11-4-3-5-13(8-11)25-16(28)14-7-6-12(9-24-14)19(20,21)22/h3-9H,10H2,1-2H3,(H2,23,26)(H,25,28)
InChIKeySLPXAQFTHUFTML-UHFFFAOYSA-N
XLogP2.40
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 54760133) is N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CN1CC(N)=NC(C)(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)C1=O.
What is the InChIKey of N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SLPXAQFTHUFTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-18(17(29)27(2)10-15(23)26-18)11-4-3-5-13(8-11)25-16(28)14-7-6-12(9-24-14)19(20,21)22/h3-9H,10H2,1-2H3,(H2,23,26)(H,25,28).
What are the key properties of N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 54760133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).