N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride

C17H21ClN2O2 — CID 110790885

IUPACN-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(C)cc(C)c1CCNC(=O)c1cccnc1.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-12-9-13(2)15(16(10-12)21-3)6-8-19-17(20)14-5-4-7-18-11-14;/h4-5,7,9-11H,6,8H2,1-3H3,(H,19,20);1H
InChIKeySMWLTTLUQYGZIJ-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride

N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 110790885) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
PubChem CID110790885
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(C)cc(C)c1CCNC(=O)c1cccnc1.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-12-9-13(2)15(16(10-12)21-3)6-8-19-17(20)14-5-4-7-18-11-14;/h4-5,7,9-11H,6,8H2,1-3H3,(H,19,20);1H
InChIKeySMWLTTLUQYGZIJ-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-4,6-dimethylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110784884
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
4-acetamido-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]benzamide
CID 110796029
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 110789703
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 110784319
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[2-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111649123
2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate
CID 2132796
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 112994012
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride (CID 110790885) is N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride is COc1cc(C)cc(C)c1CCNC(=O)c1cccnc1.Cl.
What is the InChIKey of N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is SMWLTTLUQYGZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.ClH/c1-12-9-13(2)15(16(10-12)21-3)6-8-19-17(20)14-5-4-7-18-11-14;/h4-5,7,9-11H,6,8H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110790885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).