N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide

C21H17N3O3 — CID 90237587

IUPACN-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide
SMILESCOc1ccc(COc2cccc(C(=O)Nc3ccc(C#N)cn3)c2)cc1
InChIInChI=1S/C21H17N3O3/c1-26-18-8-5-15(6-9-18)14-27-19-4-2-3-17(11-19)21(25)24-20-10-7-16(12-22)13-23-20/h2-11,13H,14H2,1H3,(H,23,24,25)
InChIKeyYMCPEYBRDGWIEL-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.79
Rot. Bonds6

About N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide

N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide (PubChem CID 90237587) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide
PubChem CID90237587
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide
SMILESCOc1ccc(COc2cccc(C(=O)Nc3ccc(C#N)cn3)c2)cc1
InChIInChI=1S/C21H17N3O3/c1-26-18-8-5-15(6-9-18)14-27-19-4-2-3-17(11-19)21(25)24-20-10-7-16(12-22)13-23-20/h2-11,13H,14H2,1H3,(H,23,24,25)
InChIKeyYMCPEYBRDGWIEL-UHFFFAOYSA-N
XLogP3.79
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
CID 62353143
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate
CID 139616417
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
4-[[2,4-dibenzoyl-5-[(4-methoxyphenyl)methoxy]phenoxy]methyl]benzonitrile
CID 10325338
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide (CID 90237587) is N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide is COc1ccc(COc2cccc(C(=O)Nc3ccc(C#N)cn3)c2)cc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide?
The InChIKey is YMCPEYBRDGWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-26-18-8-5-15(6-9-18)14-27-19-4-2-3-17(11-19)21(25)24-20-10-7-16(12-22)13-23-20/h2-11,13H,14H2,1H3,(H,23,24,25).
What are the key properties of N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide?
N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide is sourced from PubChem (CID 90237587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).