5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile

C21H19N3O — CID 133346332

IUPAC5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC(COCc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C21H19N3O/c22-13-19-11-12-20(14-23-19)24-21(18-9-5-2-6-10-18)16-25-15-17-7-3-1-4-8-17/h1-12,14,21,24H,15-16H2
InChIKeyALLBOKOBJSZSNW-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.32
Rot. Bonds7

About 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile

5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile (PubChem CID 133346332) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile
PubChem CID133346332
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC(COCc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C21H19N3O/c22-13-19-11-12-20(14-23-19)24-21(18-9-5-2-6-10-18)16-25-15-17-7-3-1-4-8-17/h1-12,14,21,24H,15-16H2
InChIKeyALLBOKOBJSZSNW-UHFFFAOYSA-N
XLogP4.32
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile
CID 86781901
N-(1-phenyl-2-phenylmethoxyethyl)pyrazin-2-amine
CID 133346280
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile
CID 88683365
5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile
CID 115487722
5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 133395262
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 133372771
2-(6-cyano-3-pyridinyl)-3-phenylpropanamide
CID 154724655
5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile
CID 54542104
5-(3-phenylpropoxy)pyridine-2-carbonitrile
CID 113320705

Frequently Asked Questions

What is the IUPAC name of 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile (CID 133346332) is 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile is N#Cc1ccc(NC(COCc2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile?
The InChIKey is ALLBOKOBJSZSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c22-13-19-11-12-20(14-23-19)24-21(18-9-5-2-6-10-18)16-25-15-17-7-3-1-4-8-17/h1-12,14,21,24H,15-16H2.
What are the key properties of 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile?
5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile has a molecular weight of 329.40 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133346332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).