N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide

C16H18N2O — CID 110787242

IUPACN-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
SMILESCCc1ccc(CCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-13-3-5-14(6-4-13)7-12-18-16(19)15-8-10-17-11-9-15/h3-6,8-11H,2,7,12H2,1H3,(H,18,19)
InChIKeyRLAPQTKGKLGDFR-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide

N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 110787242) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID110787242
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
SMILESCCc1ccc(CCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-13-3-5-14(6-4-13)7-12-18-16(19)15-8-10-17-11-9-15/h3-6,8-11H,2,7,12H2,1H3,(H,18,19)
InChIKeyRLAPQTKGKLGDFR-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110788777
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
N-butylpyridine-4-carboxamide
CID 5030535
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110787335
N-pentylpyridine-4-carboxamide
CID 2307296
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide
CID 84505391
4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90587985
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110791294

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide (CID 110787242) is N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide is CCc1ccc(CCNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is RLAPQTKGKLGDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-13-3-5-14(6-4-13)7-12-18-16(19)15-8-10-17-11-9-15/h3-6,8-11H,2,7,12H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide?
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110787242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).