3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide

C15H13ClN2O3 — CID 106913068

IUPAC3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C2OCCO2)cc1)c1ccncc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-13-9-17-6-5-12(13)14(19)18-11-3-1-10(2-4-11)15-20-7-8-21-15/h1-6,9,15H,7-8H2,(H,18,19)
InChIKeyOPMGMGUIEDXNBB-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.03
Rot. Bonds3

About 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide

3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide (PubChem CID 106913068) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide
PubChem CID106913068
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C2OCCO2)cc1)c1ccncc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-13-9-17-6-5-12(13)14(19)18-11-3-1-10(2-4-11)15-20-7-8-21-15/h1-6,9,15H,7-8H2,(H,18,19)
InChIKeyOPMGMGUIEDXNBB-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide (CID 106913068) is 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(C2OCCO2)cc1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is OPMGMGUIEDXNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-9-17-6-5-12(13)14(19)18-11-3-1-10(2-4-11)15-20-7-8-21-15/h1-6,9,15H,7-8H2,(H,18,19).
What are the key properties of 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide?
3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-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 3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 106913068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).