3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide

C18H23ClN4O4 — CID 127266235

IUPAC3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)NC2(c3nc(C(C)C)no3)CCOCC2)n1
InChIInChI=1S/C18H23ClN4O4/c1-4-26-13-6-5-12(19)14(20-13)16(24)22-18(7-9-25-10-8-18)17-21-15(11(2)3)23-27-17/h5-6,11H,4,7-10H2,1-3H3,(H,22,24)
InChIKeyLZOQMFXCIWDUTG-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.08
Rot. Bonds6

About 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide

3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide (PubChem CID 127266235) has the molecular formula C18H23ClN4O4 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide
PubChem CID127266235
Molecular FormulaC18H23ClN4O4
Molecular Weight394.86 g/mol
Exact Mass394.14
IUPAC Name3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)NC2(c3nc(C(C)C)no3)CCOCC2)n1
InChIInChI=1S/C18H23ClN4O4/c1-4-26-13-6-5-12(19)14(20-13)16(24)22-18(7-9-25-10-8-18)17-21-15(11(2)3)23-27-17/h5-6,11H,4,7-10H2,1-3H3,(H,22,24)
InChIKeyLZOQMFXCIWDUTG-UHFFFAOYSA-N
XLogP3.08
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide (CID 127266235) is 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide is CCOc1ccc(Cl)c(C(=O)NC2(c3nc(C(C)C)no3)CCOCC2)n1.
What is the InChIKey of 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide?
The InChIKey is LZOQMFXCIWDUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4/c1-4-26-13-6-5-12(19)14(20-13)16(24)22-18(7-9-25-10-8-18)17-21-15(11(2)3)23-27-17/h5-6,11H,4,7-10H2,1-3H3,(H,22,24).
What are the key properties of 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide?
3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 127266235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).