N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide

C16H18N2O — CID 6466147

IUPACN-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-13-4-6-14(7-5-13)12(2)18-16(19)15-8-10-17-11-9-15/h4-12H,3H2,1-2H3,(H,18,19)
InChIKeyZBOLNJOGBPYXFI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide

N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 6466147) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID6466147
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-13-4-6-14(7-5-13)12(2)18-16(19)15-8-10-17-11-9-15/h4-12H,3H2,1-2H3,(H,18,19)
InChIKeyZBOLNJOGBPYXFI-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711
N-[1-(6-bromo-3-pyridinyl)ethyl]pyridine-4-carboxamide
CID 140582807
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide (CID 6466147) is N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide is CCc1ccc(C(C)NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is ZBOLNJOGBPYXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-13-4-6-14(7-5-13)12(2)18-16(19)15-8-10-17-11-9-15/h4-12H,3H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide?
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 6466147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).