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

C15H13ClN2O3 — CID 106911694

IUPAC6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C15H13ClN2O3/c16-13-5-4-11(9-17-13)14(19)18-12-3-1-2-10(8-12)15-20-6-7-21-15/h1-5,8-9,15H,6-7H2,(H,18,19)
InChIKeyZTZVWXDSDYZPGW-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.03
Rot. Bonds3

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

6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 106911694) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID106911694
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C15H13ClN2O3/c16-13-5-4-11(9-17-13)14(19)18-12-3-1-2-10(8-12)15-20-6-7-21-15/h1-5,8-9,15H,6-7H2,(H,18,19)
InChIKeyZTZVWXDSDYZPGW-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
CID 106911689
6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide
CID 46579918
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
CID 47380551
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide
CID 847833

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide (CID 106911694) is 6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C2OCCO2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZTZVWXDSDYZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-5-4-11(9-17-13)14(19)18-12-3-1-2-10(8-12)15-20-6-7-21-15/h1-5,8-9,15H,6-7H2,(H,18,19).
What are the key properties of 6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 304.73 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 106911694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).