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

C16H17N3O — CID 64538441

IUPAC3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
SMILESCOc1ncccc1CNCC(C#N)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-20-16-14(8-5-9-19-16)11-18-12-15(10-17)13-6-3-2-4-7-13/h2-9,15,18H,11-12H2,1H3
InChIKeyJPGKCQKMUGBUCA-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.49
Rot. Bonds6

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

3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile (PubChem CID 64538441) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
PubChem CID64538441
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
SMILESCOc1ncccc1CNCC(C#N)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-20-16-14(8-5-9-19-16)11-18-12-15(10-17)13-6-3-2-4-7-13/h2-9,15,18H,11-12H2,1H3
InChIKeyJPGKCQKMUGBUCA-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

N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876007
3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
CID 64536413
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64536838
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 63933376
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile
CID 106372447

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile (CID 64538441) is 3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile is COc1ncccc1CNCC(C#N)c1ccccc1.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile?
The InChIKey is JPGKCQKMUGBUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-16-14(8-5-9-19-16)11-18-12-15(10-17)13-6-3-2-4-7-13/h2-9,15,18H,11-12H2,1H3.
What are the key properties of 3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile?
3-[(2-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-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile is sourced from PubChem (CID 64538441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).