5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

C19H17FN4O2 — CID 109282232

IUPAC5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C19H17FN4O2/c1-26-17-9-5-2-6-13(17)10-23-19(25)16-11-22-18(12-21-16)24-15-8-4-3-7-14(15)20/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyHBHOLCLSGRISTN-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.30
Rot. Bonds6

About 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109282232) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109282232
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C19H17FN4O2/c1-26-17-9-5-2-6-13(17)10-23-19(25)16-11-22-18(12-21-16)24-15-8-4-3-7-14(15)20/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyHBHOLCLSGRISTN-UHFFFAOYSA-N
XLogP3.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282275
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291
N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282251
5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282276
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282254
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282286
5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109287152
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 109282232) is 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1cnc(Nc2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is HBHOLCLSGRISTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-26-17-9-5-2-6-13(17)10-23-19(25)16-11-22-18(12-21-16)24-15-8-4-3-7-14(15)20/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).