N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide

C21H17N3O3 — CID 155019311

IUPACN-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3cccnc3)c2C#N)cc1OC
InChIInChI=1S/C21H17N3O3/c1-26-19-9-8-14(11-20(19)27-2)16-6-3-7-18(17(16)12-22)24-21(25)15-5-4-10-23-13-15/h3-11,13H,1-2H3,(H,24,25)
InChIKeySUBYJLOMLRWIIQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.89
Rot. Bonds5

About N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide

N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide (PubChem CID 155019311) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide
PubChem CID155019311
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3cccnc3)c2C#N)cc1OC
InChIInChI=1S/C21H17N3O3/c1-26-19-9-8-14(11-20(19)27-2)16-6-3-7-18(17(16)12-22)24-21(25)15-5-4-10-23-13-15/h3-11,13H,1-2H3,(H,24,25)
InChIKeySUBYJLOMLRWIIQ-UHFFFAOYSA-N
XLogP3.89
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide
CID 141055171
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 33494417
N-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 10595444
N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926042
N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
CID 110777674
N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925379
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide (CID 155019311) is N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide is COc1ccc(-c2cccc(NC(=O)c3cccnc3)c2C#N)cc1OC.
What is the InChIKey of N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide?
The InChIKey is SUBYJLOMLRWIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-26-19-9-8-14(11-20(19)27-2)16-6-3-7-18(17(16)12-22)24-21(25)15-5-4-10-23-13-15/h3-11,13H,1-2H3,(H,24,25).
What are the key properties of N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide?
N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155019311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).