N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide

C12H14IN3O2 — CID 119042893

IUPACN-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCNC(=O)C2)ccc1I
InChIInChI=1S/C12H14IN3O2/c1-7-9(13)2-3-10(15-7)16-12(18)8-4-5-14-11(17)6-8/h2-3,8H,4-6H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyYGMPEZGIVFISCG-UHFFFAOYSA-N
MW359.17 g/mol
LogP1.46
Rot. Bonds2

About N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide

N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide (PubChem CID 119042893) has the molecular formula C12H14IN3O2 and a molecular weight of 359.17 g/mol. Its IUPAC name is N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide
PubChem CID119042893
Molecular FormulaC12H14IN3O2
Molecular Weight359.17 g/mol
Exact Mass359.01
IUPAC NameN-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCNC(=O)C2)ccc1I
InChIInChI=1S/C12H14IN3O2/c1-7-9(13)2-3-10(15-7)16-12(18)8-4-5-14-11(17)6-8/h2-3,8H,4-6H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyYGMPEZGIVFISCG-UHFFFAOYSA-N
XLogP1.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 51.46
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

N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide
CID 119042245
N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide
CID 71914233
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682147
N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide
CID 110682193
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 79048485
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983438
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682183
N-[2-(ethylaminomethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 119440355

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide (CID 119042893) is N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide is Cc1nc(NC(=O)C2CCNC(=O)C2)ccc1I.
What is the InChIKey of N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide?
The InChIKey is YGMPEZGIVFISCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O2/c1-7-9(13)2-3-10(15-7)16-12(18)8-4-5-14-11(17)6-8/h2-3,8H,4-6H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide?
N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide has a molecular weight of 359.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 119042893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).