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

C13H13ClN4O3 — CID 127877610

IUPAC3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1ccncc1Cl
InChIInChI=1S/C13H13ClN4O3/c14-10-7-15-4-1-9(10)11(19)17-13(2-5-20-6-3-13)12-16-8-21-18-12/h1,4,7-8H,2-3,5-6H2,(H,17,19)
InChIKeyUCGDGNUACZQMDV-UHFFFAOYSA-N
MW308.72 g/mol
LogP1.55
Rot. Bonds3

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

3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide (PubChem CID 127877610) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.72 g/mol. Its IUPAC name is 3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide
PubChem CID127877610
Molecular FormulaC13H13ClN4O3
Molecular Weight308.72 g/mol
Exact Mass308.07
IUPAC Name3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1ccncc1Cl
InChIInChI=1S/C13H13ClN4O3/c14-10-7-15-4-1-9(10)11(19)17-13(2-5-20-6-3-13)12-16-8-21-18-12/h1,4,7-8H,2-3,5-6H2,(H,17,19)
InChIKeyUCGDGNUACZQMDV-UHFFFAOYSA-N
XLogP1.55
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide (CID 127877610) is 3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide is O=C(NC1(c2ncon2)CCOCC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide?
The InChIKey is UCGDGNUACZQMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c14-10-7-15-4-1-9(10)11(19)17-13(2-5-20-6-3-13)12-16-8-21-18-12/h1,4,7-8H,2-3,5-6H2,(H,17,19).
What are the key properties of 3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide?
3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide has a molecular weight of 308.72 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 127877610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).