N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide

C17H20N2O2 — CID 110788777

IUPACN-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCCc1ccc(OC)c(CCNC(=O)c2ccncc2)c1
InChIInChI=1S/C17H20N2O2/c1-3-13-4-5-16(21-2)15(12-13)8-11-19-17(20)14-6-9-18-10-7-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,19,20)
InChIKeySUPZXASGUSJVRF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide

N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 110788777) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID110788777
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCCc1ccc(OC)c(CCNC(=O)c2ccncc2)c1
InChIInChI=1S/C17H20N2O2/c1-3-13-4-5-16(21-2)15(12-13)8-11-19-17(20)14-6-9-18-10-7-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,19,20)
InChIKeySUPZXASGUSJVRF-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110787845
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788069
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 110788777) is N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide is CCc1ccc(OC)c(CCNC(=O)c2ccncc2)c1.
What is the InChIKey of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is SUPZXASGUSJVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-13-4-5-16(21-2)15(12-13)8-11-19-17(20)14-6-9-18-10-7-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110788777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).