5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid

C16H13F2N3O3 — CID 120690311

IUPAC5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC2(c3ccc(F)cc3F)CCC2)cn1
InChIInChI=1S/C16H13F2N3O3/c17-9-2-3-10(11(18)6-9)16(4-1-5-16)21-14(22)12-7-20-13(8-19-12)15(23)24/h2-3,6-8H,1,4-5H2,(H,21,22)(H,23,24)
InChIKeySZXUKZFNZBKXOM-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.26
Rot. Bonds4

About 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid

5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120690311) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120690311
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC Name5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC2(c3ccc(F)cc3F)CCC2)cn1
InChIInChI=1S/C16H13F2N3O3/c17-9-2-3-10(11(18)6-9)16(4-1-5-16)21-14(22)12-7-20-13(8-19-12)15(23)24/h2-3,6-8H,1,4-5H2,(H,21,22)(H,23,24)
InChIKeySZXUKZFNZBKXOM-UHFFFAOYSA-N
XLogP2.26
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[1-(2,4-difluorophenyl)cyclobutyl]amino]pyrimidin-5-yl]ethanone
CID 163957565
N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide
CID 139007664
N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 127701866
5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 119136012
5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685365
4-[[1-(2,4-difluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110481806
ethyl 2-[[1-(2,4-difluorophenyl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 129033012
5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide
CID 146092931
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 136554323
(7R)-N-[1-(2,4-difluorophenyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97248227
N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
CID 136534009
1-[1-(2,4-difluorophenyl)cyclobutyl]-3-[(2S)-oxan-2-yl]oxyurea
CID 99718676

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid (CID 120690311) is 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NC2(c3ccc(F)cc3F)CCC2)cn1.
What is the InChIKey of 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is SZXUKZFNZBKXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c17-9-2-3-10(11(18)6-9)16(4-1-5-16)21-14(22)12-7-20-13(8-19-12)15(23)24/h2-3,6-8H,1,4-5H2,(H,21,22)(H,23,24).
What are the key properties of 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 333.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120690311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).