N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide

C27H21N3O3 — CID 69301058

IUPACN-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2OCc2ccccc2)nc1
InChIInChI=1S/C27H21N3O3/c28-16-22-14-15-25(29-17-22)30-27(31)23-12-7-13-24(32-18-20-8-3-1-4-9-20)26(23)33-19-21-10-5-2-6-11-21/h1-15,17H,18-19H2,(H,29,30,31)
InChIKeyNFYFZZYIWHSVSO-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.36
Rot. Bonds8

About N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide

N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide (PubChem CID 69301058) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide
PubChem CID69301058
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC NameN-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2OCc2ccccc2)nc1
InChIInChI=1S/C27H21N3O3/c28-16-22-14-15-25(29-17-22)30-27(31)23-12-7-13-24(32-18-20-8-3-1-4-9-20)26(23)33-19-21-10-5-2-6-11-21/h1-15,17H,18-19H2,(H,29,30,31)
InChIKeyNFYFZZYIWHSVSO-UHFFFAOYSA-N
XLogP5.36
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-[(1S)-1,5-dicyanopentyl]-2,3-bis(phenylmethoxy)benzamide
CID 54362909
2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911656
N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide
CID 90237587
benzyl (2S)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-hydroxypropanoate
CID 51002849
N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide
CID 54474953
methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate
CID 138654400
phenyl N-(5-cyano-2-pyridinyl)carbamate
CID 57469773
benzyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133413172
N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide
CID 57204258

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide (CID 69301058) is N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide is N#Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2OCc2ccccc2)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide?
The InChIKey is NFYFZZYIWHSVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c28-16-22-14-15-25(29-17-22)30-27(31)23-12-7-13-24(32-18-20-8-3-1-4-9-20)26(23)33-19-21-10-5-2-6-11-21/h1-15,17H,18-19H2,(H,29,30,31).
What are the key properties of N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide?
N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide has a molecular weight of 435.48 g/mol, XLogP of 5.36, 8 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)-2,3-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 69301058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).