3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile

C15H14FN3O — CID 82893305

IUPAC3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCOc1cc(C)nc(CNc2ccc(C#N)cc2F)c1
InChIInChI=1S/C15H14FN3O/c1-10-5-13(20-2)7-12(19-10)9-18-15-4-3-11(8-17)6-14(15)16/h3-7,18H,9H2,1-2H3
InChIKeyQISUDYIHVRLVRB-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.02
Rot. Bonds4

About 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile

3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile (PubChem CID 82893305) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
PubChem CID82893305
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCOc1cc(C)nc(CNc2ccc(C#N)cc2F)c1
InChIInChI=1S/C15H14FN3O/c1-10-5-13(20-2)7-12(19-10)9-18-15-4-3-11(8-17)6-14(15)16/h3-7,18H,9H2,1-2H3
InChIKeyQISUDYIHVRLVRB-UHFFFAOYSA-N
XLogP3.02
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 103585743
2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 82893368
3-fluoro-4-[2-(4-methoxyphenyl)ethylamino]benzonitrile
CID 43657066
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887682
3-fluoro-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]benzonitrile
CID 78916072
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893200
2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 107606547
2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893270
4-[(2,6-dimethylphenyl)methylamino]-3-fluorobenzonitrile
CID 81333601
4-[(2-cyano-5-methoxyanilino)methyl]-3-fluorobenzonitrile
CID 81297290
3,5-difluoro-4-[(4-methoxy-2-methylanilino)methyl]benzonitrile
CID 107038342
4-[(3-bromo-4-methoxyphenyl)methylamino]-3-fluorobenzonitrile
CID 78916209

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile (CID 82893305) is 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile is COc1cc(C)nc(CNc2ccc(C#N)cc2F)c1.
What is the InChIKey of 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile?
The InChIKey is QISUDYIHVRLVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-10-5-13(20-2)7-12(19-10)9-18-15-4-3-11(8-17)6-14(15)16/h3-7,18H,9H2,1-2H3.
What are the key properties of 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile?
3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile has a molecular weight of 271.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 82893305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).