5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile

C15H15N3 — CID 115487644

IUPAC5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
SMILESCCc1ccc(N(C)c2ccc(C#N)nc2)cc1
InChIInChI=1S/C15H15N3/c1-3-12-4-7-14(8-5-12)18(2)15-9-6-13(10-16)17-11-15/h4-9,11H,3H2,1-2H3
InChIKeyPOWHJINRBFBZPT-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.28
Rot. Bonds3

About 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile

5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile (PubChem CID 115487644) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
PubChem CID115487644
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
SMILESCCc1ccc(N(C)c2ccc(C#N)nc2)cc1
InChIInChI=1S/C15H15N3/c1-3-12-4-7-14(8-5-12)18(2)15-9-6-13(10-16)17-11-15/h4-9,11H,3H2,1-2H3
InChIKeyPOWHJINRBFBZPT-UHFFFAOYSA-N
XLogP3.28
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(N,3,5-trimethylanilino)pyridine-2-carbonitrile
CID 115487645
3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 115940436
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
CID 67567287
5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 115487439
5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 115490478
6-[1-(ethylamino)ethyl]-N-(4-ethylphenyl)-N-methylpyridin-3-amine
CID 83111006
5-[bis(trimethylsilyl)amino]pyridine-2-carbonitrile
CID 66606827
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 79838651
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile (CID 115487644) is 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile is CCc1ccc(N(C)c2ccc(C#N)nc2)cc1.
What is the InChIKey of 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile?
The InChIKey is POWHJINRBFBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-12-4-7-14(8-5-12)18(2)15-9-6-13(10-16)17-11-15/h4-9,11H,3H2,1-2H3.
What are the key properties of 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile?
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).