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

C22H17ClN4O4 — CID 50844203

IUPAC2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccnc(Cl)c4)cc3)o2)cc1
InChIInChI=1S/C22H17ClN4O4/c1-29-17-6-2-14(3-7-17)22-27-26-20(31-22)13-30-18-8-4-16(5-9-18)25-21(28)15-10-11-24-19(23)12-15/h2-12H,13H2,1H3,(H,25,28)
InChIKeyKSNDDWPSQFTQJS-UHFFFAOYSA-N
MW436.86 g/mol
LogP4.62
Rot. Bonds7

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

2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide (PubChem CID 50844203) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide
PubChem CID50844203
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccnc(Cl)c4)cc3)o2)cc1
InChIInChI=1S/C22H17ClN4O4/c1-29-17-6-2-14(3-7-17)22-27-26-20(31-22)13-30-18-8-4-16(5-9-18)25-21(28)15-10-11-24-19(23)12-15/h2-12H,13H2,1H3,(H,25,28)
InChIKeyKSNDDWPSQFTQJS-UHFFFAOYSA-N
XLogP4.62
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522435
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 50844100
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide
CID 50843968
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 50844264
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
CID 50844071
(E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 50843852
N-[3-fluoro-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propanamide
CID 155812824
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide
CID 163378766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide (CID 50844203) is 2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide is COc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccnc(Cl)c4)cc3)o2)cc1.
What is the InChIKey of 2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide?
The InChIKey is KSNDDWPSQFTQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c1-29-17-6-2-14(3-7-17)22-27-26-20(31-22)13-30-18-8-4-16(5-9-18)25-21(28)15-10-11-24-19(23)12-15/h2-12H,13H2,1H3,(H,25,28).
What are the key properties of 2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide?
2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide has a molecular weight of 436.86 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 50844203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).