4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile

C20H18N4O — CID 1470989

IUPAC4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile
SMILESCN(C)c1ccnc(Nc2ccc(Oc3ccccc3)cc2)c1C#N
InChIInChI=1S/C20H18N4O/c1-24(2)19-12-13-22-20(18(19)14-21)23-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23)
InChIKeyYFLBLAUZHXPHCP-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.56
Rot. Bonds5

About 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile

4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile (PubChem CID 1470989) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile
PubChem CID1470989
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile
SMILESCN(C)c1ccnc(Nc2ccc(Oc3ccccc3)cc2)c1C#N
InChIInChI=1S/C20H18N4O/c1-24(2)19-12-13-22-20(18(19)14-21)23-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23)
InChIKeyYFLBLAUZHXPHCP-UHFFFAOYSA-N
XLogP4.56
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile
CID 1470943
4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile
CID 1475658
4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile
CID 1475663
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255
2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142
4-chloro-6-[4-(3-fluorophenoxy)anilino]pyrimidine-5-carbonitrile
CID 87643524
1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine
CID 106556281
2-(4-iodoanilino)-4-methoxypyridine-3-carbonitrile
CID 1475645
2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
CID 16911174
2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 155554853
2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112899230
4-N-(4-methyl-2-pyridinyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545280

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile (CID 1470989) is 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile is CN(C)c1ccnc(Nc2ccc(Oc3ccccc3)cc2)c1C#N.
What is the InChIKey of 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile?
The InChIKey is YFLBLAUZHXPHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24(2)19-12-13-22-20(18(19)14-21)23-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23).
What are the key properties of 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile?
4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile has a molecular weight of 330.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 1470989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).