N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide

C20H15Cl2N3O3 — CID 144576139

IUPACN-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(COc1cccc(Cl)c1Cl)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C20H15Cl2N3O3/c21-16-5-2-6-17(19(16)22)28-12-18(26)24-14-3-1-4-15(11-14)25-20(27)13-7-9-23-10-8-13/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyWNKFWQJBENRKSB-UHFFFAOYSA-N
MW416.26 g/mol
LogP4.66
Rot. Bonds6

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

N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 144576139) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID144576139
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC NameN-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(COc1cccc(Cl)c1Cl)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C20H15Cl2N3O3/c21-16-5-2-6-17(19(16)22)28-12-18(26)24-14-3-1-4-15(11-14)25-20(27)13-7-9-23-10-8-13/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyWNKFWQJBENRKSB-UHFFFAOYSA-N
XLogP4.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187776
4-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9286555
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512
N-[3-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187397
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
2-(2,3-dichlorophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7787801
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925180

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide (CID 144576139) is N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide is O=C(COc1cccc(Cl)c1Cl)Nc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is WNKFWQJBENRKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c21-16-5-2-6-17(19(16)22)28-12-18(26)24-14-3-1-4-15(11-14)25-20(27)13-7-9-23-10-8-13/h1-11H,12H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 416.26 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3-dichlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 144576139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).