N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C16H26N2O3 — CID 109381227

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(C)(C)C(O)C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H26N2O3/c1-9(2)13(19)16(5,6)8-17-14(20)12-10(3)7-11(4)18-15(12)21/h7,9,13,19H,8H2,1-6H3,(H,17,20)(H,18,21)
InChIKeyRHEHDCLZOMXUAP-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.76
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 109381227) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID109381227
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(C)(C)C(O)C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H26N2O3/c1-9(2)13(19)16(5,6)8-17-14(20)12-10(3)7-11(4)18-15(12)21/h7,9,13,19H,8H2,1-6H3,(H,17,20)(H,18,21)
InChIKeyRHEHDCLZOMXUAP-UHFFFAOYSA-N
XLogP1.76
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 109381227) is N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC(C)(C)C(O)C(C)C)c(=O)[nH]1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RHEHDCLZOMXUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-9(2)13(19)16(5,6)8-17-14(20)12-10(3)7-11(4)18-15(12)21/h7,9,13,19H,8H2,1-6H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 109381227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).