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

C13H12IN3O2 — CID 125490402

IUPAC5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCc2cccnc2)cc1I
InChIInChI=1S/C13H12IN3O2/c1-8-11(14)5-10(13(19)17-8)12(18)16-7-9-3-2-4-15-6-9/h2-6H,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyCFEGSWOWVRHDKE-UHFFFAOYSA-N
MW369.16 g/mol
LogP1.61
Rot. Bonds3

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

5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 125490402) has the molecular formula C13H12IN3O2 and a molecular weight of 369.16 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID125490402
Molecular FormulaC13H12IN3O2
Molecular Weight369.16 g/mol
Exact Mass369.00
IUPAC Name5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCc2cccnc2)cc1I
InChIInChI=1S/C13H12IN3O2/c1-8-11(14)5-10(13(19)17-8)12(18)16-7-9-3-2-4-15-6-9/h2-6H,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyCFEGSWOWVRHDKE-UHFFFAOYSA-N
XLogP1.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100525900
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911249
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 36524206
7-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 110852008
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide (CID 125490402) is 5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCc2cccnc2)cc1I.
What is the InChIKey of 5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CFEGSWOWVRHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O2/c1-8-11(14)5-10(13(19)17-8)12(18)16-7-9-3-2-4-15-6-9/h2-6H,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 369.16 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).