N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide

C22H17ClN4O3 — CID 5085030

IUPACN-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(OCc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)ccc1Cl
InChIInChI=1S/C22H17ClN4O3/c1-14-11-18(8-9-19(14)23)29-13-20-26-21(27-30-20)15-4-6-17(7-5-15)25-22(28)16-3-2-10-24-12-16/h2-12H,13H2,1H3,(H,25,28)
InChIKeyYIWOYEGEZZCVRX-UHFFFAOYSA-N
MW420.86 g/mol
LogP4.92
Rot. Bonds6

About N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide

N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 5085030) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID5085030
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC NameN-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(OCc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)ccc1Cl
InChIInChI=1S/C22H17ClN4O3/c1-14-11-18(8-9-19(14)23)29-13-20-26-21(27-30-20)15-4-6-17(7-5-15)25-22(28)16-3-2-10-24-12-16/h2-12H,13H2,1H3,(H,25,28)
InChIKeyYIWOYEGEZZCVRX-UHFFFAOYSA-N
XLogP4.92
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 3242453
CID 3242453
CID 3244925
CID 3244925
CID 4457839
CID 4457839
CID 4613972
CID 4613972
CID 5085262
CID 5085262
CID 87541460
CID 87541460
CID 706146
CID 706146
CID 155520183
CID 155520183
CID 171358752
CID 171358752
CID 156907061
CID 156907061
CID 172460695
CID 172460695
CID 5085028
CID 5085028

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (CID 5085030) is N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is Cc1cc(OCc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)ccc1Cl.
What is the InChIKey of N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is YIWOYEGEZZCVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-14-11-18(8-9-19(14)23)29-13-20-26-21(27-30-20)15-4-6-17(7-5-15)25-22(28)16-3-2-10-24-12-16/h2-12H,13H2,1H3,(H,25,28).
What are the key properties of N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 420.86 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 5085030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).