4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile

C14H13N3O2 — CID 62926532

IUPAC4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccnc(C#N)c2)c(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-12-3-4-13(14(8-12)19-2)17-10-5-6-16-11(7-10)9-15/h3-8H,1-2H3,(H,16,17)
InChIKeyCLYYIMLKWIQMHB-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.71
Rot. Bonds4

About 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile

4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile (PubChem CID 62926532) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile
PubChem CID62926532
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccnc(C#N)c2)c(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-12-3-4-13(14(8-12)19-2)17-10-5-6-16-11(7-10)9-15/h3-8H,1-2H3,(H,16,17)
InChIKeyCLYYIMLKWIQMHB-UHFFFAOYSA-N
XLogP2.71
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
CID 55156098
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
CID 62927039
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
4-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63880762
4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220278
4-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220005
2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile
CID 155289999
4-(2,5-dichloroanilino)pyridine-2-carbonitrile
CID 62926848
4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile (CID 62926532) is 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile is COc1ccc(Nc2ccnc(C#N)c2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile?
The InChIKey is CLYYIMLKWIQMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-12-3-4-13(14(8-12)19-2)17-10-5-6-16-11(7-10)9-15/h3-8H,1-2H3,(H,16,17).
What are the key properties of 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile?
4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 62926532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).