6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile

C15H15N3O — CID 133392258

IUPAC6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
SMILESCCOc1ccc(Nc2cccc(C#N)n2)cc1C
InChIInChI=1S/C15H15N3O/c1-3-19-14-8-7-12(9-11(14)2)17-15-6-4-5-13(10-16)18-15/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyYPCPJWZHDBIJOB-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.40
Rot. Bonds4

About 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile

6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile (PubChem CID 133392258) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
PubChem CID133392258
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
SMILESCCOc1ccc(Nc2cccc(C#N)n2)cc1C
InChIInChI=1S/C15H15N3O/c1-3-19-14-8-7-12(9-11(14)2)17-15-6-4-5-13(10-16)18-15/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyYPCPJWZHDBIJOB-UHFFFAOYSA-N
XLogP3.40
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile
CID 133392141
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile
CID 133392674
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133391829
6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile
CID 115142693
6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile
CID 133392430
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
CID 115125939

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile (CID 133392258) is 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile is CCOc1ccc(Nc2cccc(C#N)n2)cc1C.
What is the InChIKey of 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile?
The InChIKey is YPCPJWZHDBIJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-19-14-8-7-12(9-11(14)2)17-15-6-4-5-13(10-16)18-15/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile?
6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 133392258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).