N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide

C12H14IN3O2 — CID 167827365

IUPACN-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccncc2I)CCC(=O)NC1
InChIInChI=1S/C12H14IN3O2/c1-12(4-2-10(17)15-7-12)11(18)16-9-3-5-14-6-8(9)13/h3,5-6H,2,4,7H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyBZPHNKKMARTEDP-UHFFFAOYSA-N
MW359.17 g/mol
LogP1.54
Rot. Bonds2

About N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide

N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 167827365) has the molecular formula C12H14IN3O2 and a molecular weight of 359.17 g/mol. Its IUPAC name is N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide
PubChem CID167827365
Molecular FormulaC12H14IN3O2
Molecular Weight359.17 g/mol
Exact Mass359.01
IUPAC NameN-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccncc2I)CCC(=O)NC1
InChIInChI=1S/C12H14IN3O2/c1-12(4-2-10(17)15-7-12)11(18)16-9-3-5-14-6-8(9)13/h3,5-6H,2,4,7H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyBZPHNKKMARTEDP-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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

methyl N-(3-iodo-4-pyridinyl)carbamate
CID 130741771
3-(3-iodo-4-pyridinyl)-1,1-dimethylurea
CID 131102258
N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide
CID 126841745
4-methyl-N-(4-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 63327188
(3R)-3-methyl-N-[4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 129481169
1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 142640688
1-carbamothioyl-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 80591376
1-amino-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119858196
1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide
CID 154764359
N-(2-fluoro-5-methylphenyl)-6-oxo-3-phenylpiperidine-3-carboxamide
CID 122134413
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide
CID 170626528

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide (CID 167827365) is N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide is CC1(C(=O)Nc2ccncc2I)CCC(=O)NC1.
What is the InChIKey of N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is BZPHNKKMARTEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O2/c1-12(4-2-10(17)15-7-12)11(18)16-9-3-5-14-6-8(9)13/h3,5-6H,2,4,7H2,1H3,(H,15,17)(H,14,16,18).
What are the key properties of N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide?
N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 359.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 167827365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).