2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid

C10H11N3O3 — CID 170082755

IUPAC2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid
SMILESC=Nc1ncc(NC(=O)C(=O)O)cc1CC
InChIInChI=1S/C10H11N3O3/c1-3-6-4-7(5-12-8(6)11-2)13-9(14)10(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyCFWSSMAVIHAMPF-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.00
Rot. Bonds3

About 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid

2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid (PubChem CID 170082755) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid
PubChem CID170082755
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid
SMILESC=Nc1ncc(NC(=O)C(=O)O)cc1CC
InChIInChI=1S/C10H11N3O3/c1-3-6-4-7(5-12-8(6)11-2)13-9(14)10(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyCFWSSMAVIHAMPF-UHFFFAOYSA-N
XLogP1.00
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164751259
2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164750475
5-acetamido-3-ethylpyridine-2-sulfonyl chloride
CID 86657226
(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid
CID 118540048
3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine
CID 169112998
2-[(5-carbamoyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;2,2,2-trifluoroethyl 2-[(5-carbamoyl-6-methyl-3-pyridinyl)amino]-2-oxoacetate
CID 165060352
3-methyl-5-[[(E)-2-methylpent-2-enoyl]amino]pyridine-2-carboxylic acid
CID 166317325
5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid
CID 114250389
2-oxo-2-(pyridazin-4-ylamino)acetic acid
CID 141357871
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate
CID 165093100
methyl N-(2-ethylpyrimidin-5-yl)carbamate
CID 126992347

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid (CID 170082755) is 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid is C=Nc1ncc(NC(=O)C(=O)O)cc1CC.
What is the InChIKey of 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid?
The InChIKey is CFWSSMAVIHAMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-6-4-7(5-12-8(6)11-2)13-9(14)10(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid?
2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid has a molecular weight of 221.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 170082755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).