N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide

C15H13ClN2O3 — CID 81228237

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C15H13ClN2O3/c1-9-4-12(16)11(7-17-9)15(19)18-6-10-2-3-13-14(5-10)21-8-20-13/h2-5,7H,6,8H2,1H3,(H,18,19)
InChIKeyGSPANQQLMAPMCQ-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.70
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 81228237) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID81228237
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C15H13ClN2O3/c1-9-4-12(16)11(7-17-9)15(19)18-6-10-2-3-13-14(5-10)21-8-20-13/h2-5,7H,6,8H2,1H3,(H,18,19)
InChIKeyGSPANQQLMAPMCQ-UHFFFAOYSA-N
XLogP2.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-chloropyridine-4-carboxamide
CID 114923373
4-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 107230340
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851794
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
CID 2980599
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71458576
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18583506
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691869

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide (CID 81228237) is N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is GSPANQQLMAPMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-4-12(16)11(7-17-9)15(19)18-6-10-2-3-13-14(5-10)21-8-20-13/h2-5,7H,6,8H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 304.73 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81228237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).