3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide

C22H16Cl2N4O3 — CID 68527291

IUPAC3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide
SMILESCc1nc(Cc2ccc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cc2)no1
InChIInChI=1S/C22H16Cl2N4O3/c1-13-26-20(28-31-13)10-14-2-6-17(7-3-14)30-21-9-5-16(12-25-21)27-22(29)15-4-8-18(23)19(24)11-15/h2-9,11-12H,10H2,1H3,(H,27,29)
InChIKeyQZZNCASWRXBLMF-UHFFFAOYSA-N
MW455.30 g/mol
LogP5.72
Rot. Bonds6

About 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide

3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide (PubChem CID 68527291) has the molecular formula C22H16Cl2N4O3 and a molecular weight of 455.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide
PubChem CID68527291
Molecular FormulaC22H16Cl2N4O3
Molecular Weight455.30 g/mol
Exact Mass454.06
IUPAC Name3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide
SMILESCc1nc(Cc2ccc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cc2)no1
InChIInChI=1S/C22H16Cl2N4O3/c1-13-26-20(28-31-13)10-14-2-6-17(7-3-14)30-21-9-5-16(12-25-21)27-22(29)15-4-8-18(23)19(24)11-15/h2-9,11-12H,10H2,1H3,(H,27,29)
InChIKeyQZZNCASWRXBLMF-UHFFFAOYSA-N
XLogP5.72
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.30
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]pentanoate
CID 68525138
N-[6-[4-(2-amino-2-hydroxyiminoethyl)phenoxy]-3-pyridinyl]-3,4-dichlorobenzamide
CID 86616532
2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]butanoic acid
CID 68527065
2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
CID 69191827
3,4-dichloro-N-[6-[4-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]phenoxy]-3-pyridinyl]benzamide
CID 87483944
3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide
CID 143481862
2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-[ethenyl(methyl)amino]pyrimidin-5-yl]acetic acid
CID 67679464
2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid
CID 141132288
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55908467
[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11316000
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55537821
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide (CID 68527291) is 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide is Cc1nc(Cc2ccc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cc2)no1.
What is the InChIKey of 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide?
The InChIKey is QZZNCASWRXBLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O3/c1-13-26-20(28-31-13)10-14-2-6-17(7-3-14)30-21-9-5-16(12-25-21)27-22(29)15-4-8-18(23)19(24)11-15/h2-9,11-12H,10H2,1H3,(H,27,29).
What are the key properties of 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide?
3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide has a molecular weight of 455.30 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide is sourced from PubChem (CID 68527291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).