4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide

C18H24N4O2 — CID 136588223

IUPAC4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)N[C@@H]2CCCO[C@H]2c2nccn2CC)c1
InChIInChI=1S/C18H24N4O2/c1-3-13-7-8-19-15(12-13)18(23)21-14-6-5-11-24-16(14)17-20-9-10-22(17)4-2/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyVEVIEDVOUPSXNL-GDBMZVCRSA-N
MW328.42 g/mol
LogP2.51
Rot. Bonds5

About 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide

4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide (PubChem CID 136588223) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
PubChem CID136588223
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)N[C@@H]2CCCO[C@H]2c2nccn2CC)c1
InChIInChI=1S/C18H24N4O2/c1-3-13-7-8-19-15(12-13)18(23)21-14-6-5-11-24-16(14)17-20-9-10-22(17)4-2/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyVEVIEDVOUPSXNL-GDBMZVCRSA-N
XLogP2.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide (CID 136588223) is 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide is CCc1ccnc(C(=O)N[C@@H]2CCCO[C@H]2c2nccn2CC)c1.
What is the InChIKey of 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide?
The InChIKey is VEVIEDVOUPSXNL-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-13-7-8-19-15(12-13)18(23)21-14-6-5-11-24-16(14)17-20-9-10-22(17)4-2/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,21,23)/t14-,16-/m1/s1.
What are the key properties of 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide?
4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 136588223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).