2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride

C8H8ClN3O4 — CID 164753160

IUPAC2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride
SMILESCl.NC(=O)c1cncc(NC(=O)C(=O)O)c1
InChIInChI=1S/C8H7N3O4.ClH/c9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15;/h1-3H,(H2,9,12)(H,11,13)(H,14,15);1H
InChIKeyXGHQVLIKEFQNRD-UHFFFAOYSA-N
MW245.62 g/mol
LogP-0.37
Rot. Bonds2

About 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride (PubChem CID 164753160) has the molecular formula C8H8ClN3O4 and a molecular weight of 245.62 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride
PubChem CID164753160
Molecular FormulaC8H8ClN3O4
Molecular Weight245.62 g/mol
Exact Mass245.02
IUPAC Name2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride
SMILESCl.NC(=O)c1cncc(NC(=O)C(=O)O)c1
InChIInChI=1S/C8H7N3O4.ClH/c9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15;/h1-3H,(H2,9,12)(H,11,13)(H,14,15);1H
InChIKeyXGHQVLIKEFQNRD-UHFFFAOYSA-N
XLogP-0.37
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.62
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[[2-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033075
5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752609
5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034329
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 165015693
5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750550
5-[[2-oxo-2-[4-[(2R)-pentan-2-yl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 175639146
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 165073091
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2R,5S)-5-(4-fluorophenyl)-2-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 165015573
5-[[2-[(2S,5R)-5-fluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752106
5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750078
5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide
CID 164751101
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride?
The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride (CID 164753160) is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride.
What is the SMILES notation for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride?
The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride is Cl.NC(=O)c1cncc(NC(=O)C(=O)O)c1.
What is the InChIKey of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride?
The InChIKey is XGHQVLIKEFQNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4.ClH/c9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15;/h1-3H,(H2,9,12)(H,11,13)(H,14,15);1H.
What are the key properties of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride?
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride has a molecular weight of 245.62 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride is sourced from PubChem (CID 164753160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).