N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

C15H14N2O4 — CID 106913178

IUPACN-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H14N2O4/c18-13-5-4-11(9-16-13)14(19)17-12-3-1-2-10(8-12)15-20-6-7-21-15/h1-5,8-9,15H,6-7H2,(H,16,18)(H,17,19)
InChIKeyBXAGHFOKPIIMBK-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.67
Rot. Bonds3

About N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 106913178) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID106913178
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H14N2O4/c18-13-5-4-11(9-16-13)14(19)17-12-3-1-2-10(8-12)15-20-6-7-21-15/h1-5,8-9,15H,6-7H2,(H,16,18)(H,17,19)
InChIKeyBXAGHFOKPIIMBK-UHFFFAOYSA-N
XLogP1.67
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
CID 106911694
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
CID 106911689
6-oxo-N-(3-pyrrol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 61242832
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
CID 107372233
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
CID 106913106
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide
CID 847833
6-oxo-N-(3-pyrazol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 60779425
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920
N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 106911880
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 107910768

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 106913178) is N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cccc(C2OCCO2)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BXAGHFOKPIIMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13-5-4-11(9-16-13)14(19)17-12-3-1-2-10(8-12)15-20-6-7-21-15/h1-5,8-9,15H,6-7H2,(H,16,18)(H,17,19).
What are the key properties of N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106913178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).