N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide

C18H21FN2O2 — CID 6488626

IUPACN-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)C)c(=O)n(Cc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O2/c1-12(2)8-17(22)20-16-9-13(3)10-21(18(16)23)11-14-6-4-5-7-15(14)19/h4-7,9-10,12H,8,11H2,1-3H3,(H,20,22)
InChIKeyCOBDXPBVADMZNP-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.33
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide

N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide (PubChem CID 6488626) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide
PubChem CID6488626
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)C)c(=O)n(Cc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O2/c1-12(2)8-17(22)20-16-9-13(3)10-21(18(16)23)11-14-6-4-5-7-15(14)19/h4-7,9-10,12H,8,11H2,1-3H3,(H,20,22)
InChIKeyCOBDXPBVADMZNP-UHFFFAOYSA-N
XLogP3.33
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide (CID 6488626) is N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide is Cc1cc(NC(=O)CC(C)C)c(=O)n(Cc2ccccc2F)c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide?
The InChIKey is COBDXPBVADMZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12(2)8-17(22)20-16-9-13(3)10-21(18(16)23)11-14-6-4-5-7-15(14)19/h4-7,9-10,12H,8,11H2,1-3H3,(H,20,22).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide?
N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide has a molecular weight of 316.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 6488626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).