N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide

C22H20ClN3O3 — CID 108925180

IUPACN-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1cc(OCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc(C)c1Cl
InChIInChI=1S/C22H20ClN3O3/c1-14-9-19(10-15(2)21(14)23)29-13-20(27)25-17-6-3-7-18(11-17)26-22(28)16-5-4-8-24-12-16/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKYLAEWUDCPPDAM-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.62
Rot. Bonds6

About N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 108925180) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID108925180
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1cc(OCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc(C)c1Cl
InChIInChI=1S/C22H20ClN3O3/c1-14-9-19(10-15(2)21(14)23)29-13-20(27)25-17-6-3-7-18(11-17)26-22(28)16-5-4-8-24-12-16/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKYLAEWUDCPPDAM-UHFFFAOYSA-N
XLogP4.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925179
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922706
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-[3-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187397
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160030
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925213
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17227717

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide (CID 108925180) is N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide is Cc1cc(OCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc(C)c1Cl.
What is the InChIKey of N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is KYLAEWUDCPPDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-14-9-19(10-15(2)21(14)23)29-13-20(27)25-17-6-3-7-18(11-17)26-22(28)16-5-4-8-24-12-16/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).