N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide

C15H17N3O3 — CID 82343837

IUPACN-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN)n2)cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-12-7-6-10(8-13(12)21-2)15(19)18-14-5-3-4-11(9-16)17-14/h3-8H,9,16H2,1-2H3,(H,17,18,19)
InChIKeyWIDPAPNAGHMTQI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.81
Rot. Bonds5

About N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide

N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide (PubChem CID 82343837) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide
PubChem CID82343837
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN)n2)cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-12-7-6-10(8-13(12)21-2)15(19)18-14-5-3-4-11(9-16)17-14/h3-8H,9,16H2,1-2H3,(H,17,18,19)
InChIKeyWIDPAPNAGHMTQI-UHFFFAOYSA-N
XLogP1.81
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide
CID 11329889
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
CID 171387606
methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate
CID 55773339
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339

Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide (CID 82343837) is N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(CN)n2)cc1OC.
What is the InChIKey of N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide?
The InChIKey is WIDPAPNAGHMTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-12-7-6-10(8-13(12)21-2)15(19)18-14-5-3-4-11(9-16)17-14/h3-8H,9,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide?
N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide has a molecular weight of 287.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 82343837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).