N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide

C19H17FN4O3 — CID 109293921

IUPACN-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3cccc(F)c3)cn2)c(OC)c1
InChIInChI=1S/C19H17FN4O3/c1-26-14-6-7-15(17(9-14)27-2)24-19(25)16-10-22-18(11-21-16)23-13-5-3-4-12(20)8-13/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyNRSTWZUSDCXRSP-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.63
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide

N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide (PubChem CID 109293921) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
PubChem CID109293921
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3cccc(F)c3)cn2)c(OC)c1
InChIInChI=1S/C19H17FN4O3/c1-26-14-6-7-15(17(9-14)27-2)24-19(25)16-10-22-18(11-21-16)23-13-5-3-4-12(20)8-13/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyNRSTWZUSDCXRSP-UHFFFAOYSA-N
XLogP3.63
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293918
5-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293907
N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109129697
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293927
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109245646
5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293895
N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387
N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291979
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide (CID 109293921) is N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(Nc3cccc(F)c3)cn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The InChIKey is NRSTWZUSDCXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-26-14-6-7-15(17(9-14)27-2)24-19(25)16-10-22-18(11-21-16)23-13-5-3-4-12(20)8-13/h3-11H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109293921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).