N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide

C21H18N4O3 — CID 113037188

IUPACN-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H18N4O3/c1-27-18-7-2-3-8-19(18)28-14-21(26)25-20-10-9-17(13-23-20)24-16-6-4-5-15(11-16)12-22/h2-11,13,24H,14H2,1H3,(H,23,25,26)
InChIKeyIVXLFOOJAQZWFI-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.72
Rot. Bonds7

About N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide

N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113037188) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113037188
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H18N4O3/c1-27-18-7-2-3-8-19(18)28-14-21(26)25-20-10-9-17(13-23-20)24-16-6-4-5-15(11-16)12-22/h2-11,13,24H,14H2,1H3,(H,23,25,26)
InChIKeyIVXLFOOJAQZWFI-UHFFFAOYSA-N
XLogP3.72
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
2-(2-methoxyphenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031340
N-[5-(2-ethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032428
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032048
N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113037270
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide (CID 113037188) is N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc(Nc2cccc(C#N)c2)cn1.
What is the InChIKey of N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is IVXLFOOJAQZWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-18-7-2-3-8-19(18)28-14-21(26)25-20-10-9-17(13-23-20)24-16-6-4-5-15(11-16)12-22/h2-11,13,24H,14H2,1H3,(H,23,25,26).
What are the key properties of N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113037188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).