N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide

C20H24N2O4 — CID 50967342

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C20H24N2O4/c1-4-16(5-2)22(20(24)15-7-9-19(23)21(3)12-15)11-14-6-8-17-18(10-14)26-13-25-17/h6-10,12,16H,4-5,11,13H2,1-3H3
InChIKeySHYOSQWMAJRKCJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.94
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide (PubChem CID 50967342) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide
PubChem CID50967342
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C20H24N2O4/c1-4-16(5-2)22(20(24)15-7-9-19(23)21(3)12-15)11-14-6-8-17-18(10-14)26-13-25-17/h6-10,12,16H,4-5,11,13H2,1-3H3
InChIKeySHYOSQWMAJRKCJ-UHFFFAOYSA-N
XLogP2.94
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 71938105
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-N-pentan-3-yl-1H-pyrimidine-5-carboxamide
CID 50950085
5-(1,3-benzodioxol-5-ylmethylamino)-1-methylpyridin-2-one
CID 54866066
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(pentan-3-yl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23796256
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483
1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(1-phenylethyl)urea
CID 42725590
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
2-[3-[(1R)-1-aminoethyl]-1H-1,2,4-triazol-5-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-pentan-3-ylacetamide
CID 95047330
5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23940608
3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]butanoic acid
CID 62827804
N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 42776672

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide (CID 50967342) is N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide is CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide?
The InChIKey is SHYOSQWMAJRKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-16(5-2)22(20(24)15-7-9-19(23)21(3)12-15)11-14-6-8-17-18(10-14)26-13-25-17/h6-10,12,16H,4-5,11,13H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 50967342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).