N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide

C21H18N4O3 — CID 113022770

IUPACN-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(C#N)c3)nc2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-8-6-15(11-19(18)28-2)21(26)25-17-7-9-20(23-13-17)24-16-5-3-4-14(10-16)12-22/h3-11,13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyUIZMMFGOGPCTOA-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.97
Rot. Bonds6

About N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide

N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide (PubChem CID 113022770) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
PubChem CID113022770
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(C#N)c3)nc2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-8-6-15(11-19(18)28-2)21(26)25-17-7-9-20(23-13-17)24-16-5-3-4-14(10-16)12-22/h3-11,13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyUIZMMFGOGPCTOA-UHFFFAOYSA-N
XLogP3.97
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051223
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113037188
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109164373
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157
N-(3-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109165005
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide (CID 113022770) is N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3cccc(C#N)c3)nc2)cc1OC.
What is the InChIKey of N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide?
The InChIKey is UIZMMFGOGPCTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-18-8-6-15(11-19(18)28-2)21(26)25-17-7-9-20(23-13-17)24-16-5-3-4-14(10-16)12-22/h3-11,13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide?
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide has a molecular weight of 374.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113022770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).