2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid

C10H11IN2O4 — CID 125473190

IUPAC2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESCCc1[nH]c(=O)c(C(=O)NCC(=O)O)cc1I
InChIInChI=1S/C10H11IN2O4/c1-2-7-6(11)3-5(10(17)13-7)9(16)12-4-8(14)15/h3H,2,4H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyNEGVVSUWRZNDQD-UHFFFAOYSA-N
MW350.11 g/mol
LogP0.36
Rot. Bonds4

About 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid

2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (PubChem CID 125473190) has the molecular formula C10H11IN2O4 and a molecular weight of 350.11 g/mol. Its IUPAC name is 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
PubChem CID125473190
Molecular FormulaC10H11IN2O4
Molecular Weight350.11 g/mol
Exact Mass349.98
IUPAC Name2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESCCc1[nH]c(=O)c(C(=O)NCC(=O)O)cc1I
InChIInChI=1S/C10H11IN2O4/c1-2-7-6(11)3-5(10(17)13-7)9(16)12-4-8(14)15/h3H,2,4H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyNEGVVSUWRZNDQD-UHFFFAOYSA-N
XLogP0.36
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid
CID 125473206
6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide
CID 125491326
6-ethyl-5-iodo-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125491217
N-cyclopentyl-6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 125491949
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
5-bromo-6-ethyl-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491067
N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491354
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 130609460
5-chloro-6-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491261
5-iodo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491246
2-[[6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
CID 125473172

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (CID 125473190) is 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid is CCc1[nH]c(=O)c(C(=O)NCC(=O)O)cc1I.
What is the InChIKey of 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The InChIKey is NEGVVSUWRZNDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O4/c1-2-7-6(11)3-5(10(17)13-7)9(16)12-4-8(14)15/h3H,2,4H2,1H3,(H,12,16)(H,13,17)(H,14,15).
What are the key properties of 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid has a molecular weight of 350.11 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 125473190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).