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

C16H20ClN3O3 — CID 119998901

IUPAC6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2cccc(N)n2)cc1OC.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-13-7-6-11(10-14(13)22-2)8-9-18-16(20)12-4-3-5-15(17)19-12;/h3-7,10H,8-9H2,1-2H3,(H2,17,19)(H,18,20);1H
InChIKeyGMPJAYBBICNNTM-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.08
Rot. Bonds6

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

6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 119998901) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
PubChem CID119998901
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2cccc(N)n2)cc1OC.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-13-7-6-11(10-14(13)22-2)8-9-18-16(20)12-4-3-5-15(17)19-12;/h3-7,10H,8-9H2,1-2H3,(H2,17,19)(H,18,20);1H
InChIKeyGMPJAYBBICNNTM-UHFFFAOYSA-N
XLogP2.08
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806802
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 3070848
5-(diethylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109285735
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride (CID 119998901) is 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride is COc1ccc(CCNC(=O)c2cccc(N)n2)cc1OC.Cl.
What is the InChIKey of 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is GMPJAYBBICNNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-21-13-7-6-11(10-14(13)22-2)8-9-18-16(20)12-4-3-5-15(17)19-12;/h3-7,10H,8-9H2,1-2H3,(H2,17,19)(H,18,20);1H.
What are the key properties of 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride?
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119998901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).