N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride

C16H19ClN2O3 — CID 110755852

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2cccnc2)cc1OC.Cl
InChIInChI=1S/C16H18N2O3.ClH/c1-20-14-6-5-12(10-15(14)21-2)7-9-18-16(19)13-4-3-8-17-11-13;/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19);1H
InChIKeyYULPPVBRSLSZOY-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.49
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 110755852) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
PubChem CID110755852
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2cccnc2)cc1OC.Cl
InChIInChI=1S/C16H18N2O3.ClH/c1-20-14-6-5-12(10-15(14)21-2)7-9-18-16(19)13-4-3-8-17-11-13;/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19);1H
InChIKeyYULPPVBRSLSZOY-UHFFFAOYSA-N
XLogP2.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 112994012
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413378
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110790885
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235646
N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924721
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 110789703
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111214545
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride (CID 110755852) is N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride is COc1ccc(CCNC(=O)c2cccnc2)cc1OC.Cl.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is YULPPVBRSLSZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3.ClH/c1-20-14-6-5-12(10-15(14)21-2)7-9-18-16(19)13-4-3-8-17-11-13;/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 322.79 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110755852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).