4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

C20H17N3O2 — CID 24859982

IUPAC4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccccc2)cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-18-9-8-14(10-19(18)25-2)17-13-22-12-15(11-21)20(17)23-16-6-4-3-5-7-16/h3-10,12-13H,1-2H3,(H,22,23)
InChIKeyHADPGAPRUBRVBB-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.38
Rot. Bonds5

About 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 24859982) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID24859982
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccccc2)cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-18-9-8-14(10-19(18)25-2)17-13-22-12-15(11-21)20(17)23-16-6-4-3-5-7-16/h3-10,12-13H,1-2H3,(H,22,23)
InChIKeyHADPGAPRUBRVBB-UHFFFAOYSA-N
XLogP4.38
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Papaverine
CID 4680
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844
4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-[(3-Aminophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328848
4-{[3-(Dimethylamino)phenyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328849
4-(3-Hydroxyphenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
6,7-Dimethoxy-4-[(4-methylphenyl)amino]quinoline-3-carbonitrile
CID 5328854
6,7-Dimethoxy-4-[(5-methoxy-2,4-dimethylphenyl)amino]quinoline-3-carbonitrile
CID 5328927
RG 13022
CID 5468216
5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)nicotinonitrile
CID 24770517
5-(3,4-Dimethoxyphenyl)-4-[(4-methylphenyl)amino]pyridine-3-carbonitrile
CID 24858083

Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile (CID 24859982) is 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2ccccc2)cc1OC.
What is the InChIKey of 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is HADPGAPRUBRVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-18-9-8-14(10-19(18)25-2)17-13-22-12-15(11-21)20(17)23-16-6-4-3-5-7-16/h3-10,12-13H,1-2H3,(H,22,23).
What are the key properties of 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile?
4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 24859982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).