6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one

C19H24N2O — CID 174755855

IUPAC6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(=O)[nH]1
InChIInChI=1S/C19H24N2O/c1-12(2)15-8-6-9-16(13(3)4)19(15)20-14(5)17-10-7-11-18(22)21-17/h6-13H,1-5H3,(H,21,22)/b20-14+
InChIKeyLDURQHPIYVZDEF-XSFVSMFZSA-N
MW296.41 g/mol
LogP4.76
Rot. Bonds4

About 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one

6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one (PubChem CID 174755855) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one
PubChem CID174755855
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(=O)[nH]1
InChIInChI=1S/C19H24N2O/c1-12(2)15-8-6-9-16(13(3)4)19(15)20-14(5)17-10-7-11-18(22)21-17/h6-13H,1-5H3,(H,21,22)/b20-14+
InChIKeyLDURQHPIYVZDEF-XSFVSMFZSA-N
XLogP4.76
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one?
The IUPAC name of 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one (CID 174755855) is 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one?
The InChIKey is LDURQHPIYVZDEF-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O/c1-12(2)15-8-6-9-16(13(3)4)19(15)20-14(5)17-10-7-11-18(22)21-17/h6-13H,1-5H3,(H,21,22)/b20-14+.
What are the key properties of 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one?
6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one has a molecular weight of 296.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one is sourced from PubChem (CID 174755855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).