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

C16H17N3O — CID 62989925

IUPAC3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
SMILESCOc1ccc(CNC(CC#N)c2ccccc2)cn1
InChIInChI=1S/C16H17N3O/c1-20-16-8-7-13(12-19-16)11-18-15(9-10-17)14-5-3-2-4-6-14/h2-8,12,15,18H,9,11H2,1H3
InChIKeyCNCNJSGIFUVLCL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.83
Rot. Bonds6

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

3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile (PubChem CID 62989925) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
PubChem CID62989925
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
SMILESCOc1ccc(CNC(CC#N)c2ccccc2)cn1
InChIInChI=1S/C16H17N3O/c1-20-16-8-7-13(12-19-16)11-18-15(9-10-17)14-5-3-2-4-6-14/h2-8,12,15,18H,9,11H2,1H3
InChIKeyCNCNJSGIFUVLCL-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64536838
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206298
3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile
CID 62779379
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile (CID 62989925) is 3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile is COc1ccc(CNC(CC#N)c2ccccc2)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile?
The InChIKey is CNCNJSGIFUVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-16-8-7-13(12-19-16)11-18-15(9-10-17)14-5-3-2-4-6-14/h2-8,12,15,18H,9,11H2,1H3.
What are the key properties of 3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile?
3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile has a molecular weight of 267.33 g/mol, XLogP of 2.83, 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]-3-phenylpropanenitrile is sourced from PubChem (CID 62989925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).