5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide

C15H14N2O4 — CID 58833072

IUPAC5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(NCCO)c1cncc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H14N2O4/c18-4-3-17-15(19)12-5-11(7-16-8-12)10-1-2-13-14(6-10)21-9-20-13/h1-2,5-8,18H,3-4,9H2,(H,17,19)
InChIKeyMYRZZDVEECPSAR-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.20
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 58833072) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID58833072
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(NCCO)c1cncc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H14N2O4/c18-4-3-17-15(19)12-5-11(7-16-8-12)10-1-2-13-14(6-10)21-9-20-13/h1-2,5-8,18H,3-4,9H2,(H,17,19)
InChIKeyMYRZZDVEECPSAR-UHFFFAOYSA-N
XLogP1.20
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 58833146
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53010769
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 135316062
5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
CID 109104153
5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid
CID 120525366
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103588
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 131701996
3-[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]butanoic acid
CID 82543122
5-(1,3-benzodioxol-5-ylamino)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109234631

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 58833072) is 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide is O=C(NCCO)c1cncc(-c2ccc3c(c2)OCO3)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is MYRZZDVEECPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-4-3-17-15(19)12-5-11(7-16-8-12)10-1-2-13-14(6-10)21-9-20-13/h1-2,5-8,18H,3-4,9H2,(H,17,19).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58833072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).