5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide

C18H22ClN3O3 — CID 138996664

IUPAC5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)o1
InChIInChI=1S/C18H22ClN3O3/c1-2-13-10-20-16(24-13)11-21-17(23)12-8-15(19)18(22-9-12)25-14-6-4-3-5-7-14/h8-10,14H,2-7,11H2,1H3,(H,21,23)
InChIKeyRLEVCWHNKDUMGV-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.93
Rot. Bonds6

About 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide

5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 138996664) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID138996664
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)o1
InChIInChI=1S/C18H22ClN3O3/c1-2-13-10-20-16(24-13)11-21-17(23)12-8-15(19)18(22-9-12)25-14-6-4-3-5-7-14/h8-10,14H,2-7,11H2,1H3,(H,21,23)
InChIKeyRLEVCWHNKDUMGV-UHFFFAOYSA-N
XLogP3.93
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide (CID 138996664) is 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide is CCc1cnc(CNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)o1.
What is the InChIKey of 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RLEVCWHNKDUMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-2-13-10-20-16(24-13)11-21-17(23)12-8-15(19)18(22-9-12)25-14-6-4-3-5-7-14/h8-10,14H,2-7,11H2,1H3,(H,21,23).
What are the key properties of 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclohexyloxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 138996664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).