N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide

C13H20N2O3 — CID 47299650

IUPACN-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NC(C)(C)C)ccc1=O
InChIInChI=1S/C13H20N2O3/c1-13(2,3)14-12(17)10-5-6-11(16)15(9-10)7-8-18-4/h5-6,9H,7-8H2,1-4H3,(H,14,17)
InChIKeyKTGUBQDEMUBMOK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.02
Rot. Bonds4

About N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide

N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide (PubChem CID 47299650) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
PubChem CID47299650
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NC(C)(C)C)ccc1=O
InChIInChI=1S/C13H20N2O3/c1-13(2,3)14-12(17)10-5-6-11(16)15(9-10)7-8-18-4/h5-6,9H,7-8H2,1-4H3,(H,14,17)
InChIKeyKTGUBQDEMUBMOK-UHFFFAOYSA-N
XLogP1.02
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide (CID 47299650) is N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide is COCCn1cc(C(=O)NC(C)(C)C)ccc1=O.
What is the InChIKey of N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is KTGUBQDEMUBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)14-12(17)10-5-6-11(16)15(9-10)7-8-18-4/h5-6,9H,7-8H2,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide?
N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 47299650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).