3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid

C16H16N4O4 — CID 56763357

IUPAC3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCN(C)C(=O)Cc1cccc(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C16H16N4O4/c1-20(2)12(21)9-10-4-3-5-11(8-10)19-15(22)13-14(16(23)24)18-7-6-17-13/h3-8H,9H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyNZSXRELBLLDPCI-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.06
Rot. Bonds5

About 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid

3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 56763357) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID56763357
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCN(C)C(=O)Cc1cccc(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C16H16N4O4/c1-20(2)12(21)9-10-4-3-5-11(8-10)19-15(22)13-14(16(23)24)18-7-6-17-13/h3-8H,9H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyNZSXRELBLLDPCI-UHFFFAOYSA-N
XLogP1.06
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737
3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 53368628
3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate
CID 54684810
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
trans-(1S,3S)-3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391295
3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763143
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 38587212
3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762340
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
3-[[3-chloro-4-(dimethylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid;N,N-dimethylformamide
CID 163331656

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 56763357) is 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid is CN(C)C(=O)Cc1cccc(NC(=O)c2nccnc2C(=O)O)c1.
What is the InChIKey of 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is NZSXRELBLLDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-20(2)12(21)9-10-4-3-5-11(8-10)19-15(22)13-14(16(23)24)18-7-6-17-13/h3-8H,9H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 328.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 56763357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).