N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide

C27H21ClN4O3 — CID 23124061

IUPACN-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide
SMILESN#Cc1ccccc1COc1cc(OCc2ccccc2Cl)cc(C(=O)Nc2ccc(N)cn2)c1
InChIInChI=1S/C27H21ClN4O3/c28-25-8-4-3-7-20(25)17-35-24-12-21(27(33)32-26-10-9-22(30)15-31-26)11-23(13-24)34-16-19-6-2-1-5-18(19)14-29/h1-13,15H,16-17,30H2,(H,31,32,33)
InChIKeyVJTXLIRGGFQWTN-UHFFFAOYSA-N
MW484.94 g/mol
LogP5.60
Rot. Bonds8

About N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide

N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide (PubChem CID 23124061) has the molecular formula C27H21ClN4O3 and a molecular weight of 484.94 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide
PubChem CID23124061
Molecular FormulaC27H21ClN4O3
Molecular Weight484.94 g/mol
Exact Mass484.13
IUPAC NameN-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide
SMILESN#Cc1ccccc1COc1cc(OCc2ccccc2Cl)cc(C(=O)Nc2ccc(N)cn2)c1
InChIInChI=1S/C27H21ClN4O3/c28-25-8-4-3-7-20(25)17-35-24-12-21(27(33)32-26-10-9-22(30)15-31-26)11-23(13-24)34-16-19-6-2-1-5-18(19)14-29/h1-13,15H,16-17,30H2,(H,31,32,33)
InChIKeyVJTXLIRGGFQWTN-UHFFFAOYSA-N
XLogP5.60
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.94
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]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

3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide
CID 59735837
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
2-[(3,5-dichlorophenoxy)methyl]benzonitrile
CID 22688290
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
2-[(3-amino-4-chlorophenoxy)methyl]benzonitrile
CID 58022209
3-[(2-chlorophenyl)methoxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 30155682
(3-aminobenzoyl) 3,5-bis[(2-chlorophenyl)methoxy]benzoate
CID 23121812
N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
CID 142197494
N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738693
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113027186
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide (CID 23124061) is N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide is N#Cc1ccccc1COc1cc(OCc2ccccc2Cl)cc(C(=O)Nc2ccc(N)cn2)c1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide?
The InChIKey is VJTXLIRGGFQWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O3/c28-25-8-4-3-7-20(25)17-35-24-12-21(27(33)32-26-10-9-22(30)15-31-26)11-23(13-24)34-16-19-6-2-1-5-18(19)14-29/h1-13,15H,16-17,30H2,(H,31,32,33).
What are the key properties of N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide?
N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide has a molecular weight of 484.94 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide is sourced from PubChem (CID 23124061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).