N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide

C21H18N2O5 — CID 119099694

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)cc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C21H18N2O5/c1-26-18-10-20(24)23(15-5-3-2-4-6-15)12-16(18)21(25)22-11-14-7-8-17-19(9-14)28-13-27-17/h2-10,12H,11,13H2,1H3,(H,22,25)
InChIKeyYLNGTEQIDABKID-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.50
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 119099694) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide
PubChem CID119099694
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)cc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C21H18N2O5/c1-26-18-10-20(24)23(15-5-3-2-4-6-15)12-16(18)21(25)22-11-14-7-8-17-19(9-14)28-13-27-17/h2-10,12H,11,13H2,1H3,(H,22,25)
InChIKeyYLNGTEQIDABKID-UHFFFAOYSA-N
XLogP2.50
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 122274507
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30151119
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7981672
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
CID 17430137
1-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 10110663
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide
CID 110851796
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30131932
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440575
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide (CID 119099694) is N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide is COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is YLNGTEQIDABKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-26-18-10-20(24)23(15-5-3-2-4-6-15)12-16(18)21(25)22-11-14-7-8-17-19(9-14)28-13-27-17/h2-10,12H,11,13H2,1H3,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 2.50, 5 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)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 119099694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).