N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide

C12H18N2O2 — CID 43243457

IUPACN-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC(C)C)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O2/c1-4-14(8-9(2)3)12(16)10-5-6-11(15)13-7-10/h5-7,9H,4,8H2,1-3H3,(H,13,15)
InChIKeyCATXKIDERGYGNQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.49
Rot. Bonds4

About N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide

N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 43243457) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID43243457
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC(C)C)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O2/c1-4-14(8-9(2)3)12(16)10-5-6-11(15)13-7-10/h5-7,9H,4,8H2,1-3H3,(H,13,15)
InChIKeyCATXKIDERGYGNQ-UHFFFAOYSA-N
XLogP1.49
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide (CID 43243457) is N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide is CCN(CC(C)C)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CATXKIDERGYGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(8-9(2)3)12(16)10-5-6-11(15)13-7-10/h5-7,9H,4,8H2,1-3H3,(H,13,15).
What are the key properties of N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43243457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).