6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one

C16H20N2O — CID 82520970

IUPAC6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(CNC(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C16H20N2O/c1-11(2)17-10-14-8-9-15(18-16(14)19)13-6-4-12(3)5-7-13/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeySLTAOLSEONICAV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.85
Rot. Bonds4

About 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one

6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one (PubChem CID 82520970) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one
PubChem CID82520970
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(CNC(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C16H20N2O/c1-11(2)17-10-14-8-9-15(18-16(14)19)13-6-4-12(3)5-7-13/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeySLTAOLSEONICAV-UHFFFAOYSA-N
XLogP2.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one (CID 82520970) is 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one is Cc1ccc(-c2ccc(CNC(C)C)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one?
The InChIKey is SLTAOLSEONICAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)17-10-14-8-9-15(18-16(14)19)13-6-4-12(3)5-7-13/h4-9,11,17H,10H2,1-3H3,(H,18,19).
What are the key properties of 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one?
6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 82520970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).