N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide

C21H18N2O5 — CID 110382307

IUPACN-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cccc(Cn2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2=O)c1
InChIInChI=1S/C21H18N2O5/c1-26-16-5-2-4-14(10-16)12-23-9-3-6-17(21(23)25)20(24)22-15-7-8-18-19(11-15)28-13-27-18/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyKSZRZRQXWBCVIG-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.89
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110382307) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110382307
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cccc(Cn2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2=O)c1
InChIInChI=1S/C21H18N2O5/c1-26-16-5-2-4-14(10-16)12-23-9-3-6-17(21(23)25)20(24)22-15-7-8-18-19(11-15)28-13-27-18/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyKSZRZRQXWBCVIG-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599387
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
CID 30859558
N-(1,3-benzodioxol-5-yl)-1-[(3-chlorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 40505037
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 70804901
N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382620
methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597576

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110382307) is N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is COc1cccc(Cn2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2=O)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is KSZRZRQXWBCVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-26-16-5-2-4-14(10-16)12-23-9-3-6-17(21(23)25)20(24)22-15-7-8-18-19(11-15)28-13-27-18/h2-11H,12-13H2,1H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 2.89, 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-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110382307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).