3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid

C10H12N4O4 — CID 113447883

IUPAC3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN(CC(N)=O)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C10H12N4O4/c1-14(5-7(11)15)10(18)13-6-3-2-4-12-8(6)9(16)17/h2-4H,5H2,1H3,(H2,11,15)(H,13,18)(H,16,17)
InChIKeyIABYKLDSTXHLHQ-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.27
Rot. Bonds4

About 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid

3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 113447883) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID113447883
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN(CC(N)=O)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C10H12N4O4/c1-14(5-7(11)15)10(18)13-6-3-2-4-12-8(6)9(16)17/h2-4H,5H2,1H3,(H2,11,15)(H,13,18)(H,16,17)
InChIKeyIABYKLDSTXHLHQ-UHFFFAOYSA-N
XLogP-0.27
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447890
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743483
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid
CID 62536518
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743381
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447891
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447906
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
CID 107438962

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid (CID 113447883) is 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid is CN(CC(N)=O)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is IABYKLDSTXHLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-14(5-7(11)15)10(18)13-6-3-2-4-12-8(6)9(16)17/h2-4H,5H2,1H3,(H2,11,15)(H,13,18)(H,16,17).
What are the key properties of 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113447883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).