N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

C22H20N2O5 — CID 42440575

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H20N2O5/c1-24-12-21(27-13-15-5-3-2-4-6-15)18(25)10-17(24)22(26)23-11-16-7-8-19-20(9-16)29-14-28-19/h2-10,12H,11,13-14H2,1H3,(H,23,26)
InChIKeySJEPZSKGUXDYOY-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.62
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 42440575) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
PubChem CID42440575
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H20N2O5/c1-24-12-21(27-13-15-5-3-2-4-6-15)18(25)10-17(24)22(26)23-11-16-7-8-19-20(9-16)29-14-28-19/h2-10,12H,11,13-14H2,1H3,(H,23,26)
InChIKeySJEPZSKGUXDYOY-UHFFFAOYSA-N
XLogP2.62
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one
CID 30858952
N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
N-(1,3-benzodioxol-5-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30859004
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 16522885
1-(1,3-benzodioxol-5-yl)-N-[(3-chloro-4-phenylmethoxyphenyl)methyl]methanamine
CID 17157847
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 35326826
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide
CID 119099694
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7981672
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 42246054
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
CID 16853801

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (CID 42440575) is N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is SJEPZSKGUXDYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-24-12-21(27-13-15-5-3-2-4-6-15)18(25)10-17(24)22(26)23-11-16-7-8-19-20(9-16)29-14-28-19/h2-10,12H,11,13-14H2,1H3,(H,23,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 2.62, 6 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)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 42440575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).