N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide

C17H18Cl2N2O2 — CID 3409311

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C17H18Cl2N2O2/c1-11(2)9-16(22)20-15-7-4-8-21(17(15)23)10-12-13(18)5-3-6-14(12)19/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyWDWSFXVBUFHNRU-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.19
Rot. Bonds5

About N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide

N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide (PubChem CID 3409311) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide
PubChem CID3409311
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C17H18Cl2N2O2/c1-11(2)9-16(22)20-15-7-4-8-21(17(15)23)10-12-13(18)5-3-6-14(12)19/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyWDWSFXVBUFHNRU-UHFFFAOYSA-N
XLogP4.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide (CID 3409311) is N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide?
The InChIKey is WDWSFXVBUFHNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11(2)9-16(22)20-15-7-4-8-21(17(15)23)10-12-13(18)5-3-6-14(12)19/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide?
N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide has a molecular weight of 353.25 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 3409311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).