3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile

C24H25N3O — CID 129277038

IUPAC3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile
SMILESCC(C)c1ccc(COc2ccc(C(C#N)C(N)c3ccncc3)cc2)cc1
InChIInChI=1S/C24H25N3O/c1-17(2)19-5-3-18(4-6-19)16-28-22-9-7-20(8-10-22)23(15-25)24(26)21-11-13-27-14-12-21/h3-14,17,23-24H,16,26H2,1-2H3
InChIKeyAUXQMPLILPFCEQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.09
Rot. Bonds7

About 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile

3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile (PubChem CID 129277038) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile
PubChem CID129277038
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile
SMILESCC(C)c1ccc(COc2ccc(C(C#N)C(N)c3ccncc3)cc2)cc1
InChIInChI=1S/C24H25N3O/c1-17(2)19-5-3-18(4-6-19)16-28-22-9-7-20(8-10-22)23(15-25)24(26)21-11-13-27-14-12-21/h3-14,17,23-24H,16,26H2,1-2H3
InChIKeyAUXQMPLILPFCEQ-UHFFFAOYSA-N
XLogP5.09
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60799873
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
4,4,5,5-tetramethyl-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-1,3,2-dioxaborolane
CID 123347336

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile?
The IUPAC name of 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile (CID 129277038) is 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile.
What is the SMILES notation for 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile?
The canonical SMILES for 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile is CC(C)c1ccc(COc2ccc(C(C#N)C(N)c3ccncc3)cc2)cc1.
What is the InChIKey of 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile?
The InChIKey is AUXQMPLILPFCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17(2)19-5-3-18(4-6-19)16-28-22-9-7-20(8-10-22)23(15-25)24(26)21-11-13-27-14-12-21/h3-14,17,23-24H,16,26H2,1-2H3.
What are the key properties of 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile?
3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile has a molecular weight of 371.48 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile is sourced from PubChem (CID 129277038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).