4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile

C15H12F3N3O — CID 1487433

IUPAC4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESCOc1ccnc(NCc2cccc(C(F)(F)F)c2)c1C#N
InChIInChI=1S/C15H12F3N3O/c1-22-13-5-6-20-14(12(13)8-19)21-9-10-3-2-4-11(7-10)15(16,17)18/h2-7H,9H2,1H3,(H,20,21)
InChIKeyRYPLTQIWAPAGQD-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.59
Rot. Bonds4

About 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile

4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 1487433) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID1487433
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESCOc1ccnc(NCc2cccc(C(F)(F)F)c2)c1C#N
InChIInChI=1S/C15H12F3N3O/c1-22-13-5-6-20-14(12(13)8-19)21-9-10-3-2-4-11(7-10)15(16,17)18/h2-7H,9H2,1H3,(H,20,21)
InChIKeyRYPLTQIWAPAGQD-UHFFFAOYSA-N
XLogP3.59
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 1470924
2-[(4-Chlorobenzyl)amino]-4-methoxynicotinonitrile
CID 1474323
4-Methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazino}nicotinonitrile
CID 1487144
4-Methoxy-2-[(3-pyridinylmethyl)amino]nicotinonitrile
CID 1487431
N-(3-cyano-4-methoxy-2-pyridinyl)-N'-{[3-(trifluoromethyl)benzyl]oxy}iminoformamide
CID 3276507
2-(3,4-Dimethylanilino)-4-methoxynicotinonitrile
CID 1475667
2-(4-Benzhydrylpiperazino)-4-methoxynicotinonitrile
CID 1486851
2-[(4-Methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912181
2-[(4-Methoxy-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile
CID 164912206
1-(5-Cyano-4-methoxy-2-pyridinyl)-2-[3-methyl-3-[4-(trifluoromethyl)phenoxy]butyl]guanidine
CID 155809363
1-(5-Cyano-4-methoxy-2-pyridinyl)-2-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]guanidine
CID 155810912
4-Methoxy-2-(3-toluidino)nicotinonitrile
CID 1475652

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile (CID 1487433) is 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile is COc1ccnc(NCc2cccc(C(F)(F)F)c2)c1C#N.
What is the InChIKey of 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is RYPLTQIWAPAGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-22-13-5-6-20-14(12(13)8-19)21-9-10-3-2-4-11(7-10)15(16,17)18/h2-7H,9H2,1H3,(H,20,21).
What are the key properties of 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 307.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 1487433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).