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

C11H13IN2O4 — CID 125473206

IUPAC2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESCCCc1[nH]c(=O)c(C(=O)NCC(=O)O)cc1I
InChIInChI=1S/C11H13IN2O4/c1-2-3-8-7(12)4-6(11(18)14-8)10(17)13-5-9(15)16/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyQENJBMABKJWKJC-UHFFFAOYSA-N
MW364.14 g/mol
LogP0.75
Rot. Bonds5

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

2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid (PubChem CID 125473206) has the molecular formula C11H13IN2O4 and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid
PubChem CID125473206
Molecular FormulaC11H13IN2O4
Molecular Weight364.14 g/mol
Exact Mass363.99
IUPAC Name2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESCCCc1[nH]c(=O)c(C(=O)NCC(=O)O)cc1I
InChIInChI=1S/C11H13IN2O4/c1-2-3-8-7(12)4-6(11(18)14-8)10(17)13-5-9(15)16/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyQENJBMABKJWKJC-UHFFFAOYSA-N
XLogP0.75
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 50.75
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-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
CID 125473190
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-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490566
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
5-chloro-2-oxo-N-phenyl-6-propyl-1H-pyridine-3-carboxamide
CID 125490443
N-cyclopentyl-6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 125491949
5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491199
N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491354
6-ethyl-N-methyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490900
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid (CID 125473206) is 2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid is CCCc1[nH]c(=O)c(C(=O)NCC(=O)O)cc1I.
What is the InChIKey of 2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid?
The InChIKey is QENJBMABKJWKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O4/c1-2-3-8-7(12)4-6(11(18)14-8)10(17)13-5-9(15)16/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid?
2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid has a molecular weight of 364.14 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 125473206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).