5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile

C14H13N3O2 — CID 115487418

IUPAC5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
SMILESCOc1cc(Nc2ccc(C#N)nc2)cc(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-13-5-12(6-14(7-13)19-2)17-11-4-3-10(8-15)16-9-11/h3-7,9,17H,1-2H3
InChIKeyFJVVYJXBBNSKMN-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.71
Rot. Bonds4

About 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile

5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile (PubChem CID 115487418) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
PubChem CID115487418
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
SMILESCOc1cc(Nc2ccc(C#N)nc2)cc(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-13-5-12(6-14(7-13)19-2)17-11-4-3-10(8-15)16-9-11/h3-7,9,17H,1-2H3
InChIKeyFJVVYJXBBNSKMN-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

5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
CID 115487429
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
2-bromo-4-(3,5-dimethoxyanilino)benzonitrile
CID 107275779
2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543373
5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
CID 115487739
5-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
CID 134512316
3-[(6-cyano-3-pyridinyl)amino]benzoic acid
CID 113320464
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile (CID 115487418) is 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile is COc1cc(Nc2ccc(C#N)nc2)cc(OC)c1.
What is the InChIKey of 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile?
The InChIKey is FJVVYJXBBNSKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-13-5-12(6-14(7-13)19-2)17-11-4-3-10(8-15)16-9-11/h3-7,9,17H,1-2H3.
What are the key properties of 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile?
5-(3,5-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 5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).