N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide

C14H11ClN2O4 — CID 110851769

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c15-10-4-9(6-17-14(10)19)13(18)16-5-8-1-2-11-12(3-8)21-7-20-11/h1-4,6H,5,7H2,(H,16,18)(H,17,19)
InChIKeyBHERZUOVKYRFRD-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.69
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110851769) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110851769
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c15-10-4-9(6-17-14(10)19)13(18)16-5-8-1-2-11-12(3-8)21-7-20-11/h1-4,6H,5,7H2,(H,16,18)(H,17,19)
InChIKeyBHERZUOVKYRFRD-UHFFFAOYSA-N
XLogP1.69
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
CID 1297066
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 847892
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide
CID 9314668
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522048

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide (CID 110851769) is N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BHERZUOVKYRFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-10-4-9(6-17-14(10)19)13(18)16-5-8-1-2-11-12(3-8)21-7-20-11/h1-4,6H,5,7H2,(H,16,18)(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110851769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).