2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine

C25H27N3 — CID 142320683

IUPAC2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)Nc1ncc(-c2ccc(C)cc2)cc1C.CCc1ccccc1C#N
InChIInChI=1S/C16H18N2.C9H9N/c1-11(2)18-16-13(4)9-15(10-17-16)14-7-5-12(3)6-8-14;1-2-8-5-3-4-6-9(8)7-10/h5-10H,1H2,2-4H3,(H,17,18);3-6H,2H2,1H3
InChIKeyYCRXHMRARNGYKR-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.43
Rot. Bonds4

About 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine

2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine (PubChem CID 142320683) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine.

Molecular Properties

Compound Name2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine
PubChem CID142320683
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)Nc1ncc(-c2ccc(C)cc2)cc1C.CCc1ccccc1C#N
InChIInChI=1S/C16H18N2.C9H9N/c1-11(2)18-16-13(4)9-15(10-17-16)14-7-5-12(3)6-8-14;1-2-8-5-3-4-6-9(8)7-10/h5-10H,1H2,2-4H3,(H,17,18);3-6H,2H2,1H3
InChIKeyYCRXHMRARNGYKR-UHFFFAOYSA-N
XLogP6.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine
CID 134417401
2-(2-cyanophenyl)-N-(4-methylphenyl)acetamide
CID 134694438
3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
CID 52738677
2-ethyl-4-methylbenzonitrile;methane;propane;toluene
CID 159408575
2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid
CID 21004433
2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile
CID 166763209
[4-[(2-cyanophenyl)methyl]-1-methylpyrazol-3-yl]carbamic acid
CID 174215387
1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea
CID 154725535
2-[(2-cyanophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 39159153
4-[[(3-cyano-5-phenyl-2-pyridinyl)amino]methyl]benzoic acid
CID 7749382
2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912151
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440

Frequently Asked Questions

What is the IUPAC name of 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine?
The IUPAC name of 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine (CID 142320683) is 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine.
What is the SMILES notation for 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine?
The canonical SMILES for 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine is C=C(C)Nc1ncc(-c2ccc(C)cc2)cc1C.CCc1ccccc1C#N.
What is the InChIKey of 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine?
The InChIKey is YCRXHMRARNGYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.C9H9N/c1-11(2)18-16-13(4)9-15(10-17-16)14-7-5-12(3)6-8-14;1-2-8-5-3-4-6-9(8)7-10/h5-10H,1H2,2-4H3,(H,17,18);3-6H,2H2,1H3.
What are the key properties of 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine?
2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine has a molecular weight of 369.51 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbenzonitrile;3-methyl-5-(4-methylphenyl)-N-prop-1-en-2-ylpyridin-2-amine is sourced from PubChem (CID 142320683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).