N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide

C21H19N3O3 — CID 166190877

IUPACN-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(CNC(=O)c1ccc(OCc2cccnc2)cc1)Nc1ccccc1
InChIInChI=1S/C21H19N3O3/c25-20(24-18-6-2-1-3-7-18)14-23-21(26)17-8-10-19(11-9-17)27-15-16-5-4-12-22-13-16/h1-13H,14-15H2,(H,23,26)(H,24,25)
InChIKeyJXNIWBCKHXCHRT-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.03
Rot. Bonds7

About N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide

N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 166190877) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID166190877
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(CNC(=O)c1ccc(OCc2cccnc2)cc1)Nc1ccccc1
InChIInChI=1S/C21H19N3O3/c25-20(24-18-6-2-1-3-7-18)14-23-21(26)17-8-10-19(11-9-17)27-15-16-5-4-12-22-13-16/h1-13H,14-15H2,(H,23,26)(H,24,25)
InChIKeyJXNIWBCKHXCHRT-UHFFFAOYSA-N
XLogP3.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide
CID 60520711
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199
N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 43060066
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-naphthalen-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 71939692

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide (CID 166190877) is N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide is O=C(CNC(=O)c1ccc(OCc2cccnc2)cc1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is JXNIWBCKHXCHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(24-18-6-2-1-3-7-18)14-23-21(26)17-8-10-19(11-9-17)27-15-16-5-4-12-22-13-16/h1-13H,14-15H2,(H,23,26)(H,24,25).
What are the key properties of N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide?
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 166190877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).