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

C16H16N2O4 — CID 86304268

IUPACN-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)OCO3)c(C)c(C)c1O
InChIInChI=1S/C16H16N2O4/c1-8-9(2)15(17-10(3)14(8)19)18-16(20)11-4-5-12-13(6-11)22-7-21-12/h4-6,19H,7H2,1-3H3,(H,17,18,20)
InChIKeyAGWAFUIZCQOQKP-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.69
Rot. Bonds2

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

N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 86304268) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
PubChem CID86304268
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)OCO3)c(C)c(C)c1O
InChIInChI=1S/C16H16N2O4/c1-8-9(2)15(17-10(3)14(8)19)18-16(20)11-4-5-12-13(6-11)22-7-21-12/h4-6,19H,7H2,1-3H3,(H,17,18,20)
InChIKeyAGWAFUIZCQOQKP-UHFFFAOYSA-N
XLogP2.69
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 18109412
N-(4-methylpyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1116221
N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 3413292
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 16381507
3-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)acrylamide
CID 896750
N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 898748
N-(5-bromo-6-methylpyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 959471
N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17397707
N-(5-hydroxy-3,4,6-trimethylpyridine-2-yl)-4-methoxybenzamide
CID 86304266
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 16953618
4-ethoxy-N-(3-hydroxy-2-pyridinyl)-3-methoxybenzamide
CID 18109347
N-[6-(1,3-benzodioxole-5-carbonylamino)pyridin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1014403

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (CID 86304268) is N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is Cc1nc(NC(=O)c2ccc3c(c2)OCO3)c(C)c(C)c1O.
What is the InChIKey of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is AGWAFUIZCQOQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-8-9(2)15(17-10(3)14(8)19)18-16(20)11-4-5-12-13(6-11)22-7-21-12/h4-6,19H,7H2,1-3H3,(H,17,18,20).
What are the key properties of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 86304268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).