N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C9H10ClIN2O3 — CID 125490235

IUPACN-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NOCCCl)cc1I
InChIInChI=1S/C9H10ClIN2O3/c1-5-7(11)4-6(8(14)12-5)9(15)13-16-3-2-10/h4H,2-3H2,1H3,(H,12,14)(H,13,15)
InChIKeyDQGFOICVCOJATG-UHFFFAOYSA-N
MW356.55 g/mol
LogP1.19
Rot. Bonds4

About N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125490235) has the molecular formula C9H10ClIN2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125490235
Molecular FormulaC9H10ClIN2O3
Molecular Weight356.55 g/mol
Exact Mass355.94
IUPAC NameN-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NOCCCl)cc1I
InChIInChI=1S/C9H10ClIN2O3/c1-5-7(11)4-6(8(14)12-5)9(15)13-16-3-2-10/h4H,2-3H2,1H3,(H,12,14)(H,13,15)
InChIKeyDQGFOICVCOJATG-UHFFFAOYSA-N
XLogP1.19
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125491105
5-iodo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491246
N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491354
5-iodo-6-methyl-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 125490765
5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125491454
5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 125490402
6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125490540
5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393787
N-(2-methoxyethoxy)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 79676518
ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 46320509
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125491933

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 125490235) is N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NOCCCl)cc1I.
What is the InChIKey of N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DQGFOICVCOJATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIN2O3/c1-5-7(11)4-6(8(14)12-5)9(15)13-16-3-2-10/h4H,2-3H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 356.55 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).