6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide

C13H19IN2O2 — CID 125491326

IUPAC6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)NC[C@H](C)CC)cc1I
InChIInChI=1S/C13H19IN2O2/c1-4-8(3)7-15-12(17)9-6-10(14)11(5-2)16-13(9)18/h6,8H,4-5,7H2,1-3H3,(H,15,17)(H,16,18)/t8-/m1/s1
InChIKeyYFNIBJUBNMFFRG-MRVPVSSYSA-N
MW362.21 g/mol
LogP2.32
Rot. Bonds5

About 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide

6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125491326) has the molecular formula C13H19IN2O2 and a molecular weight of 362.21 g/mol. Its IUPAC name is 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125491326
Molecular FormulaC13H19IN2O2
Molecular Weight362.21 g/mol
Exact Mass362.05
IUPAC Name6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)NC[C@H](C)CC)cc1I
InChIInChI=1S/C13H19IN2O2/c1-4-8(3)7-15-12(17)9-6-10(14)11(5-2)16-13(9)18/h6,8H,4-5,7H2,1-3H3,(H,15,17)(H,16,18)/t8-/m1/s1
InChIKeyYFNIBJUBNMFFRG-MRVPVSSYSA-N
XLogP2.32
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125491217
N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491354
6-methyl-N-[(2R)-2-methylbutyl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125491181
N-cyclopentyl-6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 125491949
2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid
CID 125473206
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
5-ethyl-N-(2-ethylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491131
N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490566
5-bromo-6-ethyl-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491067
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
N-[(1S)-1-cyclopropylethyl]-5,6-diethyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490222

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide (CID 125491326) is 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c(=O)c(C(=O)NC[C@H](C)CC)cc1I.
What is the InChIKey of 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YFNIBJUBNMFFRG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19IN2O2/c1-4-8(3)7-15-12(17)9-6-10(14)11(5-2)16-13(9)18/h6,8H,4-5,7H2,1-3H3,(H,15,17)(H,16,18)/t8-/m1/s1.
What are the key properties of 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide?
6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 362.21 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).