6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide

C18H20N2O4 — CID 132525199

IUPAC6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)CC(=O)NC(=O)c1c[nH]c([C@@H](O)c2ccccc2)cc1=O
InChIInChI=1S/C18H20N2O4/c1-11(2)8-16(22)20-18(24)13-10-19-14(9-15(13)21)17(23)12-6-4-3-5-7-12/h3-7,9-11,17,23H,8H2,1-2H3,(H,19,21)(H,20,22,24)/t17-/m0/s1
InChIKeyRTBJNIQHGYLJIR-KRWDZBQOSA-N
MW328.37 g/mol
LogP1.76
Rot. Bonds5

About 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide

6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 132525199) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID132525199
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)CC(=O)NC(=O)c1c[nH]c([C@@H](O)c2ccccc2)cc1=O
InChIInChI=1S/C18H20N2O4/c1-11(2)8-16(22)20-18(24)13-10-19-14(9-15(13)21)17(23)12-6-4-3-5-7-12/h3-7,9-11,17,23H,8H2,1-2H3,(H,19,21)(H,20,22,24)/t17-/m0/s1
InChIKeyRTBJNIQHGYLJIR-KRWDZBQOSA-N
XLogP1.76
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide (CID 132525199) is 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide is CC(C)CC(=O)NC(=O)c1c[nH]c([C@@H](O)c2ccccc2)cc1=O.
What is the InChIKey of 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RTBJNIQHGYLJIR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11(2)8-16(22)20-18(24)13-10-19-14(9-15(13)21)17(23)12-6-4-3-5-7-12/h3-7,9-11,17,23H,8H2,1-2H3,(H,19,21)(H,20,22,24)/t17-/m0/s1.
What are the key properties of 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide?
6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 132525199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).