2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile

C18H18N4 — CID 84816983

IUPAC2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile
SMILESCc1nc2ccccn2c1C(C#N)NCCc1ccccc1
InChIInChI=1S/C18H18N4/c1-14-18(22-12-6-5-9-17(22)21-14)16(13-19)20-11-10-15-7-3-2-4-8-15/h2-9,12,16,20H,10-11H2,1H3
InChIKeyZQLCVNJAWWORMU-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile (PubChem CID 84816983) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile
PubChem CID84816983
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile
SMILESCc1nc2ccccn2c1C(C#N)NCCc1ccccc1
InChIInChI=1S/C18H18N4/c1-14-18(22-12-6-5-9-17(22)21-14)16(13-19)20-11-10-15-7-3-2-4-8-15/h2-9,12,16,20H,10-11H2,1H3
InChIKeyZQLCVNJAWWORMU-UHFFFAOYSA-N
XLogP3.04
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 84816712
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 84817050
2-(dipropylamino)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 84756914
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile
CID 82029947
2,2,2-trifluoro-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82029187
(1R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-phenylethanamine
CID 81350884
2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 82020084
4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride
CID 19032464
1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine
CID 135004228
2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671040
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile?
The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile (CID 84816983) is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile.
What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile?
The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile is Cc1nc2ccccn2c1C(C#N)NCCc1ccccc1.
What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile?
The InChIKey is ZQLCVNJAWWORMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14-18(22-12-6-5-9-17(22)21-14)16(13-19)20-11-10-15-7-3-2-4-8-15/h2-9,12,16,20H,10-11H2,1H3.
What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile?
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(2-phenylethylamino)acetonitrile is sourced from PubChem (CID 84816983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).