N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide

C14H22N2O3 — CID 110000936

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)(C)CO)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O3/c1-9(2)5-11-6-10(7-12(18)15-11)13(19)16-14(3,4)8-17/h6-7,9,17H,5,8H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyPNOHQRCHAOULRD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.07
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 110000936) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
PubChem CID110000936
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)(C)CO)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O3/c1-9(2)5-11-6-10(7-12(18)15-11)13(19)16-14(3,4)8-17/h6-7,9,17H,5,8H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyPNOHQRCHAOULRD-UHFFFAOYSA-N
XLogP1.07
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide (CID 110000936) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide is CC(C)Cc1cc(C(=O)NC(C)(C)CO)cc(=O)[nH]1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is PNOHQRCHAOULRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)5-11-6-10(7-12(18)15-11)13(19)16-14(3,4)8-17/h6-7,9,17H,5,8H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 110000936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).