3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile

C16H17N3O — CID 64536838

IUPAC3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
SMILESCOc1ccc(CNCC(C#N)c2ccccc2)cn1
InChIInChI=1S/C16H17N3O/c1-20-16-8-7-13(11-19-16)10-18-12-15(9-17)14-5-3-2-4-6-14/h2-8,11,15,18H,10,12H2,1H3
InChIKeyPQCDZCJCDBCTPR-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.49
Rot. Bonds6

About 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile

3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile (PubChem CID 64536838) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
PubChem CID64536838
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
SMILESCOc1ccc(CNCC(C#N)c2ccccc2)cn1
InChIInChI=1S/C16H17N3O/c1-20-16-8-7-13(11-19-16)10-18-12-15(9-17)14-5-3-2-4-6-14/h2-8,11,15,18H,10,12H2,1H3
InChIKeyPQCDZCJCDBCTPR-UHFFFAOYSA-N
XLogP2.49
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
CID 62989925
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
benzyl-[(2R)-2-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]propyl]phosphinic acid
CID 68889920
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile
CID 106372447
1-[3-(difluoromethyl)phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 115526058
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile (CID 64536838) is 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile is COc1ccc(CNCC(C#N)c2ccccc2)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile?
The InChIKey is PQCDZCJCDBCTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-16-8-7-13(11-19-16)10-18-12-15(9-17)14-5-3-2-4-6-14/h2-8,11,15,18H,10,12H2,1H3.
What are the key properties of 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile?
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile has a molecular weight of 267.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile is sourced from PubChem (CID 64536838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).