2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide

C18H23N3O3 — CID 119062916

IUPAC2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnc(C)cc2C)c(OCCN)c1
InChIInChI=1S/C18H23N3O3/c1-12-8-13(2)20-10-14(12)11-21-18(22)16-5-4-15(23-3)9-17(16)24-7-6-19/h4-5,8-10H,6-7,11,19H2,1-3H3,(H,21,22)
InChIKeyYGTFCUZFGPMQOH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.97
Rot. Bonds7

About 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide

2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide (PubChem CID 119062916) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide
PubChem CID119062916
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnc(C)cc2C)c(OCCN)c1
InChIInChI=1S/C18H23N3O3/c1-12-8-13(2)20-10-14(12)11-21-18(22)16-5-4-15(23-3)9-17(16)24-7-6-19/h4-5,8-10H,6-7,11,19H2,1-3H3,(H,21,22)
InChIKeyYGTFCUZFGPMQOH-UHFFFAOYSA-N
XLogP1.97
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethoxy)-N-[(2,5-dimethylphenyl)methyl]-4-methoxybenzamide
CID 118767250
2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 118769430
2-(2-aminoethoxy)-4-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
CID 118763514
N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70783506
2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
CID 119384390
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide (CID 119062916) is 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cnc(C)cc2C)c(OCCN)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide?
The InChIKey is YGTFCUZFGPMQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-8-13(2)20-10-14(12)11-21-18(22)16-5-4-15(23-3)9-17(16)24-7-6-19/h4-5,8-10H,6-7,11,19H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide?
2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 119062916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).