N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide

C19H25N3O3 — CID 71909889

IUPACN-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2cccc(N(C)C)n2)cc1OCC
InChIInChI=1S/C19H25N3O3/c1-5-24-16-11-10-14(12-17(16)25-6-2)19(23)20-13-15-8-7-9-18(21-15)22(3)4/h7-12H,5-6,13H2,1-4H3,(H,20,23)
InChIKeyFSGJGXDGWLYJHL-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.88
Rot. Bonds8

About N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide

N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide (PubChem CID 71909889) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide
PubChem CID71909889
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2cccc(N(C)C)n2)cc1OCC
InChIInChI=1S/C19H25N3O3/c1-5-24-16-11-10-14(12-17(16)25-6-2)19(23)20-13-15-8-7-9-18(21-15)22(3)4/h7-12H,5-6,13H2,1-4H3,(H,20,23)
InChIKeyFSGJGXDGWLYJHL-UHFFFAOYSA-N
XLogP2.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
CID 35511449
3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide
CID 75524262
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119182002
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 176698652
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 109403723
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 166250000
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide (CID 71909889) is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCc2cccc(N(C)C)n2)cc1OCC.
What is the InChIKey of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide?
The InChIKey is FSGJGXDGWLYJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-5-24-16-11-10-14(12-17(16)25-6-2)19(23)20-13-15-8-7-9-18(21-15)22(3)4/h7-12H,5-6,13H2,1-4H3,(H,20,23).
What are the key properties of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide?
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide has a molecular weight of 343.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 71909889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).