N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide

C12H17ClN2O2 — CID 118544290

IUPACN-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCc1[nH]c(Cl)cc(=O)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C12H17ClN2O2/c1-7-8(9(16)5-10(13)15-7)6-14-11(17)12(2,3)4/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyTVYUMYRBVATURM-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.00
Rot. Bonds2

About N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide

N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 118544290) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID118544290
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCc1[nH]c(Cl)cc(=O)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C12H17ClN2O2/c1-7-8(9(16)5-10(13)15-7)6-14-11(17)12(2,3)4/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyTVYUMYRBVATURM-UHFFFAOYSA-N
XLogP2.00
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444316
N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444317
N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544263
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544287
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544380
N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544438
N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 12920971
2,6-dimethyl-4-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 15171319
2-ethyl-6-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 57122485
N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696311
N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide
CID 118544258
N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide
CID 118544259

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide (CID 118544290) is N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide is Cc1[nH]c(Cl)cc(=O)c1CNC(=O)C(C)(C)C.
What is the InChIKey of N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is TVYUMYRBVATURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-7-8(9(16)5-10(13)15-7)6-14-11(17)12(2,3)4/h5H,6H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 256.73 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118544290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).