1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide

C12H18N2O3 — CID 47255955

IUPAC1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NC(C)C)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-9(2)13-12(16)10-4-5-11(15)14(8-10)6-7-17-3/h4-5,8-9H,6-7H2,1-3H3,(H,13,16)
InChIKeyQKKQENDAEUPQTR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.63
Rot. Bonds5

About 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 47255955) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
PubChem CID47255955
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NC(C)C)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-9(2)13-12(16)10-4-5-11(15)14(8-10)6-7-17-3/h4-5,8-9H,6-7H2,1-3H3,(H,13,16)
InChIKeyQKKQENDAEUPQTR-UHFFFAOYSA-N
XLogP0.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide (CID 47255955) is 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide is COCCn1cc(C(=O)NC(C)C)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is QKKQENDAEUPQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)13-12(16)10-4-5-11(15)14(8-10)6-7-17-3/h4-5,8-9H,6-7H2,1-3H3,(H,13,16).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 47255955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).