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

C19H24N2O2 — CID 110787845

IUPACN-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1CCNC(=O)c1ccncc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)16-5-6-17(23-4)15(13-16)9-12-21-18(22)14-7-10-20-11-8-14/h5-8,10-11,13H,9,12H2,1-4H3,(H,21,22)
InChIKeyPVXGGTBUIVDOAV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.36
Rot. Bonds5

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

N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 110787845) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID110787845
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1CCNC(=O)c1ccncc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)16-5-6-17(23-4)15(13-16)9-12-21-18(22)14-7-10-20-11-8-14/h5-8,10-11,13H,9,12H2,1-4H3,(H,21,22)
InChIKeyPVXGGTBUIVDOAV-UHFFFAOYSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110788777
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
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-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31533502
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787308
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 110787845) is N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccc(C(C)(C)C)cc1CCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is PVXGGTBUIVDOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)16-5-6-17(23-4)15(13-16)9-12-21-18(22)14-7-10-20-11-8-14/h5-8,10-11,13H,9,12H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110787845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).