N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide

C15H14N2O3 — CID 898748

IUPACN-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H14N2O3/c1-9-5-10(2)16-14(6-9)17-15(18)11-3-4-12-13(7-11)20-8-19-12/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeyBOKBTTWONBEBOK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.68
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 898748) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
PubChem CID898748
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H14N2O3/c1-9-5-10(2)16-14(6-9)17-15(18)11-3-4-12-13(7-11)20-8-19-12/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeyBOKBTTWONBEBOK-UHFFFAOYSA-N
XLogP2.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
N-(6-methylpyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708615
N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 18109412
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
CID 585532
N-(4-methylpyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1116221
N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 3413292
4-ethoxy-N-(6-methylpyridin-2-yl)benzamide
CID 656366
3-Benzo[1,3]dioxol-5-yl-N-(6-methyl-pyridin-2-yl)-acrylamide
CID 785883
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 844451
3-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)acrylamide
CID 896750
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1001748
[4-[2-Amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-1-piperidyl]-(1,3-benzodioxol-5-yl)methanone
CID 10173681

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (CID 898748) is N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is BOKBTTWONBEBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-5-10(2)16-14(6-9)17-15(18)11-3-4-12-13(7-11)20-8-19-12/h3-7H,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 898748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).