5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide

C16H19F2N5O — CID 109277881

IUPAC5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H19F2N5O/c1-23(2)7-3-6-19-16(24)14-9-21-15(10-20-14)22-13-5-4-11(17)8-12(13)18/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyOBWFTMVHMQLZEV-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.18
Rot. Bonds7

About 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide

5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 109277881) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
PubChem CID109277881
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H19F2N5O/c1-23(2)7-3-6-19-16(24)14-9-21-15(10-20-14)22-13-5-4-11(17)8-12(13)18/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyOBWFTMVHMQLZEV-UHFFFAOYSA-N
XLogP2.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
CID 109288090
N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109277899
5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284313
6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344386
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
5-(2,4-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285050
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277891

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide (CID 109277881) is 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide is CN(C)CCCNC(=O)c1cnc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is OBWFTMVHMQLZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-23(2)7-3-6-19-16(24)14-9-21-15(10-20-14)22-13-5-4-11(17)8-12(13)18/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,24)(H,21,22).
What are the key properties of 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109277881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).