5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide

C11H12IN3O2 — CID 75390408

IUPAC5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cncc(I)c2)C1=O
InChIInChI=1S/C11H12IN3O2/c1-15-3-2-9(11(15)17)14-10(16)7-4-8(12)6-13-5-7/h4-6,9H,2-3H2,1H3,(H,14,16)
InChIKeyBMGAKIQTFXJSBY-UHFFFAOYSA-N
MW345.14 g/mol
LogP0.65
Rot. Bonds2

About 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide

5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 75390408) has the molecular formula C11H12IN3O2 and a molecular weight of 345.14 g/mol. Its IUPAC name is 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID75390408
Molecular FormulaC11H12IN3O2
Molecular Weight345.14 g/mol
Exact Mass345.00
IUPAC Name5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cncc(I)c2)C1=O
InChIInChI=1S/C11H12IN3O2/c1-15-3-2-9(11(15)17)14-10(16)7-4-8(12)6-13-5-7/h4-6,9H,2-3H2,1H3,(H,14,16)
InChIKeyBMGAKIQTFXJSBY-UHFFFAOYSA-N
XLogP0.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 126773779
5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
CID 106258258
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175
2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 104952562
3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114163964
3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113239507
N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 106256433
5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide
CID 136512866
2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106253688
N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide
CID 97244956
2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 114194096
4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide
CID 103799877

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide (CID 75390408) is 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide is CN1CCC(NC(=O)c2cncc(I)c2)C1=O.
What is the InChIKey of 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is BMGAKIQTFXJSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O2/c1-15-3-2-9(11(15)17)14-10(16)7-4-8(12)6-13-5-7/h4-6,9H,2-3H2,1H3,(H,14,16).
What are the key properties of 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 345.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75390408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).