5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide

C14H19ClN2O3 — CID 90648657

IUPAC5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC1CCCCO1)C(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C14H19ClN2O3/c1-2-17(9-11-5-3-4-6-20-11)14(19)12-7-10(15)8-16-13(12)18/h7-8,11H,2-6,9H2,1H3,(H,16,18)
InChIKeyKTAXGMCEPDKIGU-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.06
Rot. Bonds4

About 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide

5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 90648657) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID90648657
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC1CCCCO1)C(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C14H19ClN2O3/c1-2-17(9-11-5-3-4-6-20-11)14(19)12-7-10(15)8-16-13(12)18/h7-8,11H,2-6,9H2,1H3,(H,16,18)
InChIKeyKTAXGMCEPDKIGU-UHFFFAOYSA-N
XLogP2.06
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 90648657) is 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide is CCN(CC1CCCCO1)C(=O)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KTAXGMCEPDKIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-17(9-11-5-3-4-6-20-11)14(19)12-7-10(15)8-16-13(12)18/h7-8,11H,2-6,9H2,1H3,(H,16,18).
What are the key properties of 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(oxan-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90648657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).