6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile

C21H16N4O — CID 174202525

IUPAC6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(CC(N)c2ccccc2-c2noc3ccccc23)n1
InChIInChI=1S/C21H16N4O/c22-13-15-7-5-6-14(24-15)12-19(23)16-8-1-2-9-17(16)21-18-10-3-4-11-20(18)26-25-21/h1-11,19H,12,23H2
InChIKeyWGZDWYPYSFXFKW-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.00
Rot. Bonds4

About 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile

6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile (PubChem CID 174202525) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile
PubChem CID174202525
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(CC(N)c2ccccc2-c2noc3ccccc23)n1
InChIInChI=1S/C21H16N4O/c22-13-15-7-5-6-14(24-15)12-19(23)16-8-1-2-9-17(16)21-18-10-3-4-11-20(18)26-25-21/h1-11,19H,12,23H2
InChIKeyWGZDWYPYSFXFKW-UHFFFAOYSA-N
XLogP4.00
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile
CID 164915881
6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)-6-fluorophenyl]ethyl]pyridine-2-carbonitrile;hydrochloride
CID 170943467
6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-5-methylpyridine-2-carbonitrile
CID 164915756
6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-3-fluoropyridine-2-carbonitrile
CID 164915469
[1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-(6-cyano-2-pyridinyl)ethyl]carbamic acid
CID 174204337
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915454
6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-3-carbonitrile;hydrochloride
CID 174201368
3-[2-[1-amino-2-(6-methyl-2-pyridinyl)ethyl]phenyl]-1,2-benzoxazole-6-carbonitrile
CID 174200467
[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid
CID 174201473
1-[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-3-methylurea
CID 164915348
6-[(2S)-2-amino-2-[2-(6-chloro-1,2-benzoxazol-3-yl)phenyl]ethyl]-5-fluoropyridine-2-carbonitrile
CID 164915498
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]ethanamine;hydrochloride
CID 164915652

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile (CID 174202525) is 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile is N#Cc1cccc(CC(N)c2ccccc2-c2noc3ccccc23)n1.
What is the InChIKey of 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile?
The InChIKey is WGZDWYPYSFXFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c22-13-15-7-5-6-14(24-15)12-19(23)16-8-1-2-9-17(16)21-18-10-3-4-11-20(18)26-25-21/h1-11,19H,12,23H2.
What are the key properties of 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile?
6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile has a molecular weight of 340.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 174202525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).