1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide

C20H24N2O5 — CID 132525202

IUPAC1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide
SMILESCC(C)CC(=O)NC(=O)c1cn(CCO)c([C@@H](O)c2ccccc2)cc1=O
InChIInChI=1S/C20H24N2O5/c1-13(2)10-18(25)21-20(27)15-12-22(8-9-23)16(11-17(15)24)19(26)14-6-4-3-5-7-14/h3-7,11-13,19,23,26H,8-10H2,1-2H3,(H,21,25,27)/t19-/m0/s1
InChIKeyAXDKXCZTQFDEKP-IBGZPJMESA-N
MW372.42 g/mol
LogP1.22
Rot. Bonds7

About 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide

1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide (PubChem CID 132525202) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide
PubChem CID132525202
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide
SMILESCC(C)CC(=O)NC(=O)c1cn(CCO)c([C@@H](O)c2ccccc2)cc1=O
InChIInChI=1S/C20H24N2O5/c1-13(2)10-18(25)21-20(27)15-12-22(8-9-23)16(11-17(15)24)19(26)14-6-4-3-5-7-14/h3-7,11-13,19,23,26H,8-10H2,1-2H3,(H,21,25,27)/t19-/m0/s1
InChIKeyAXDKXCZTQFDEKP-IBGZPJMESA-N
XLogP1.22
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide (CID 132525202) is 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide is CC(C)CC(=O)NC(=O)c1cn(CCO)c([C@@H](O)c2ccccc2)cc1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide?
The InChIKey is AXDKXCZTQFDEKP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(2)10-18(25)21-20(27)15-12-22(8-9-23)16(11-17(15)24)19(26)14-6-4-3-5-7-14/h3-7,11-13,19,23,26H,8-10H2,1-2H3,(H,21,25,27)/t19-/m0/s1.
What are the key properties of 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide?
1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-[(S)-hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 132525202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).