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

C16H17N5O4 — CID 56761127

IUPAC3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCN(C)CC(=O)Nc1ccccc1NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C16H17N5O4/c1-21(2)9-12(22)19-10-5-3-4-6-11(10)20-15(23)13-14(16(24)25)18-8-7-17-13/h3-8H,9H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)
InChIKeyAMERAOYXQWROOF-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.93
Rot. Bonds6

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

3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 56761127) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID56761127
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCN(C)CC(=O)Nc1ccccc1NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C16H17N5O4/c1-21(2)9-12(22)19-10-5-3-4-6-11(10)20-15(23)13-14(16(24)25)18-8-7-17-13/h3-8H,9H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)
InChIKeyAMERAOYXQWROOF-UHFFFAOYSA-N
XLogP0.93
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 131941004
3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763357
3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866788
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 135632821
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 56761127) is 3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid is CN(C)CC(=O)Nc1ccccc1NC(=O)c1nccnc1C(=O)O.
What is the InChIKey of 3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is AMERAOYXQWROOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-21(2)9-12(22)19-10-5-3-4-6-11(10)20-15(23)13-14(16(24)25)18-8-7-17-13/h3-8H,9H2,1-2H3,(H,19,22)(H,20,23)(H,24,25).
What are the key properties of 3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 56761127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).