N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide

C21H18N4O3 — CID 113037270

IUPACN-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C21H18N4O3/c1-27-17-4-3-5-18(28-2)20(17)21(26)25-19-11-10-16(13-23-19)24-15-8-6-14(12-22)7-9-15/h3-11,13,24H,1-2H3,(H,23,25,26)
InChIKeyPZLLRZDTZIQAHV-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.97
Rot. Bonds6

About N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide

N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide (PubChem CID 113037270) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
PubChem CID113037270
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C21H18N4O3/c1-27-17-4-3-5-18(28-2)20(17)21(26)25-19-11-10-16(13-23-19)24-15-8-6-14(12-22)7-9-15/h3-11,13,24H,1-2H3,(H,23,25,26)
InChIKeyPZLLRZDTZIQAHV-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-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide
CID 113037262
2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113037188
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200223
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
CID 113017171
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide (CID 113037270) is N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(Nc2ccc(C#N)cc2)cn1.
What is the InChIKey of N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide?
The InChIKey is PZLLRZDTZIQAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-17-4-3-5-18(28-2)20(17)21(26)25-19-11-10-16(13-23-19)24-15-8-6-14(12-22)7-9-15/h3-11,13,24H,1-2H3,(H,23,25,26).
What are the key properties of N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide?
N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-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-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113037270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).