5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

C17H14FN5O — CID 109283322

IUPAC5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C17H14FN5O/c18-13-4-1-5-14(7-13)23-16-11-20-15(10-21-16)17(24)22-9-12-3-2-6-19-8-12/h1-8,10-11H,9H2,(H,21,23)(H,22,24)
InChIKeyINZSKRPRTOVOAE-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.68
Rot. Bonds5

About 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109283322) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID109283322
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C17H14FN5O/c18-13-4-1-5-14(7-13)23-16-11-20-15(10-21-16)17(24)22-9-12-3-2-6-19-8-12/h1-8,10-11H,9H2,(H,21,23)(H,22,24)
InChIKeyINZSKRPRTOVOAE-UHFFFAOYSA-N
XLogP2.68
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283309
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191278
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109283332
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
CID 109279750
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374362
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (CID 109283322) is 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1cccnc1)c1cnc(Nc2cccc(F)c2)cn1.
What is the InChIKey of 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is INZSKRPRTOVOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-13-4-1-5-14(7-13)23-16-11-20-15(10-21-16)17(24)22-9-12-3-2-6-19-8-12/h1-8,10-11H,9H2,(H,21,23)(H,22,24).
What are the key properties of 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).