N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide

C14H11ClN2O3 — CID 18158591

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cn1
InChIInChI=1S/C14H11ClN2O3/c1-8-2-3-9(6-16-8)14(18)17-11-5-13-12(4-10(11)15)19-7-20-13/h2-6H,7H2,1H3,(H,17,18)
InChIKeyNCBAATMOELGDKW-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.02
Rot. Bonds2

About N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide

N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide (PubChem CID 18158591) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide
PubChem CID18158591
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cn1
InChIInChI=1S/C14H11ClN2O3/c1-8-2-3-9(6-16-8)14(18)17-11-5-13-12(4-10(11)15)19-7-20-13/h2-6H,7H2,1H3,(H,17,18)
InChIKeyNCBAATMOELGDKW-UHFFFAOYSA-N
XLogP3.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzodioxol-5-yl)-4-iodobenzamide
CID 39728188
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methylpyrazine-2-carboxamide
CID 18121973
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
N-(2-chloro-4-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
CID 43134081
6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 107260856
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(2-bromo-5-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81272102
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583
N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 82862313

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide (CID 18158591) is N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cn1.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is NCBAATMOELGDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-2-3-9(6-16-8)14(18)17-11-5-13-12(4-10(11)15)19-7-20-13/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 18158591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).