3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one

C20H26N2O — CID 82523734

IUPAC3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one
SMILESCc1ccc(C(N)c2ccc(C(C)(C)C)n(C3CC3)c2=O)cc1
InChIInChI=1S/C20H26N2O/c1-13-5-7-14(8-6-13)18(21)16-11-12-17(20(2,3)4)22(19(16)23)15-9-10-15/h5-8,11-12,15,18H,9-10,21H2,1-4H3
InChIKeyNDAFCVJRICHPHF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.84
Rot. Bonds3

About 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one

3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one (PubChem CID 82523734) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one
PubChem CID82523734
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one
SMILESCc1ccc(C(N)c2ccc(C(C)(C)C)n(C3CC3)c2=O)cc1
InChIInChI=1S/C20H26N2O/c1-13-5-7-14(8-6-13)18(21)16-11-12-17(20(2,3)4)22(19(16)23)15-9-10-15/h5-8,11-12,15,18H,9-10,21H2,1-4H3
InChIKeyNDAFCVJRICHPHF-UHFFFAOYSA-N
XLogP3.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one?
The IUPAC name of 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one (CID 82523734) is 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one is Cc1ccc(C(N)c2ccc(C(C)(C)C)n(C3CC3)c2=O)cc1.
What is the InChIKey of 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one?
The InChIKey is NDAFCVJRICHPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-13-5-7-14(8-6-13)18(21)16-11-12-17(20(2,3)4)22(19(16)23)15-9-10-15/h5-8,11-12,15,18H,9-10,21H2,1-4H3.
What are the key properties of 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one?
3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one is sourced from PubChem (CID 82523734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).