3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide

C17H16IN3O2 — CID 46520113

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C17H16IN3O2/c1-10-14(11(2)20-17(23)15(10)9-19)6-7-16(22)21-13-5-3-4-12(18)8-13/h3-5,8H,6-7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRMRFJBWJPGBRKS-UHFFFAOYSA-N
MW421.24 g/mol
LogP3.04
Rot. Bonds4

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide (PubChem CID 46520113) has the molecular formula C17H16IN3O2 and a molecular weight of 421.24 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
PubChem CID46520113
Molecular FormulaC17H16IN3O2
Molecular Weight421.24 g/mol
Exact Mass421.03
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C17H16IN3O2/c1-10-14(11(2)20-17(23)15(10)9-19)6-7-16(22)21-13-5-3-4-12(18)8-13/h3-5,8H,6-7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRMRFJBWJPGBRKS-UHFFFAOYSA-N
XLogP3.04
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 53.04
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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949406
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 7530470
[2-(3-fluoroanilino)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784175
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 7598664
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 46563604
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 55382076
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003492
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829818
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide
CID 167789601
N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 52692952
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide
CID 167944281
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784092

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide (CID 46520113) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(I)c1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide?
The InChIKey is RMRFJBWJPGBRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3O2/c1-10-14(11(2)20-17(23)15(10)9-19)6-7-16(22)21-13-5-3-4-12(18)8-13/h3-5,8H,6-7H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide has a molecular weight of 421.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide is sourced from PubChem (CID 46520113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).