N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide

C18H20N2O5 — CID 136571111

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CO)nc1
InChIInChI=1S/C18H20N2O5/c1-23-7-6-20(18(22)14-3-4-15(11-21)19-9-14)10-13-2-5-16-17(8-13)25-12-24-16/h2-5,8-9,21H,6-7,10-12H2,1H3
InChIKeyHFHMRRBWVQEBKC-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.59
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 136571111) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID136571111
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CO)nc1
InChIInChI=1S/C18H20N2O5/c1-23-7-6-20(18(22)14-3-4-15(11-21)19-9-14)10-13-2-5-16-17(8-13)25-12-24-16/h2-5,8-9,21H,6-7,10-12H2,1H3
InChIKeyHFHMRRBWVQEBKC-UHFFFAOYSA-N
XLogP1.59
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120632437
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 5123810
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
trans-(1R,2R)-2-[1,3-benzodioxol-5-ylmethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 125131926
4-[[1,3-benzodioxol-5-ylmethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 122023297
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
CID 119782947
1-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)-3-[(1R,2R)-2-methylcyclopropyl]urea
CID 96516517
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42822305
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
3-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)propanamide;hydrochloride
CID 120610684
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-(3-methoxypropyl)benzamide
CID 4052614

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 136571111) is N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CO)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is HFHMRRBWVQEBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-7-6-20(18(22)14-3-4-15(11-21)19-9-14)10-13-2-5-16-17(8-13)25-12-24-16/h2-5,8-9,21H,6-7,10-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 136571111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).