5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide

C16H18F2N4O — CID 109288090

IUPAC5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H18F2N4O/c1-2-3-4-7-19-16(23)14-9-21-15(10-20-14)22-13-6-5-11(17)8-12(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,23)(H,21,22)
InChIKeyAXRDESXGQKIRCI-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.42
Rot. Bonds7

About 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide

5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide (PubChem CID 109288090) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
PubChem CID109288090
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H18F2N4O/c1-2-3-4-7-19-16(23)14-9-21-15(10-20-14)22-13-6-5-11(17)8-12(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,23)(H,21,22)
InChIKeyAXRDESXGQKIRCI-UHFFFAOYSA-N
XLogP3.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277881
5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284313
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773
5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide
CID 109288056
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
5-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292112
N-(2,4-difluorophenyl)-5-(4-ethylanilino)pyrazine-2-carboxamide
CID 109291695

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide (CID 109288090) is 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide is CCCCCNC(=O)c1cnc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide?
The InChIKey is AXRDESXGQKIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-2-3-4-7-19-16(23)14-9-21-15(10-20-14)22-13-6-5-11(17)8-12(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide?
5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide is sourced from PubChem (CID 109288090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).