4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane

C16H19ClN2O2 — CID 143453781

IUPAC4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane
SMILESCC.CC1=CC(Cl)C=C(Oc2ccnc(C(N)=O)c2)C=C1
InChIInChI=1S/C14H13ClN2O2.C2H6/c1-9-2-3-11(7-10(15)6-9)19-12-4-5-17-13(8-12)14(16)18;1-2/h2-8,10H,1H3,(H2,16,18);1-2H3
InChIKeyUAGLUIRYASOKFK-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.59
Rot. Bonds3

About 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane

4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane (PubChem CID 143453781) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane.

Molecular Properties

Compound Name4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane
PubChem CID143453781
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane
SMILESCC.CC1=CC(Cl)C=C(Oc2ccnc(C(N)=O)c2)C=C1
InChIInChI=1S/C14H13ClN2O2.C2H6/c1-9-2-3-11(7-10(15)6-9)19-12-4-5-17-13(8-12)14(16)18;1-2/h2-8,10H,1H3,(H2,16,18);1-2H3
InChIKeyUAGLUIRYASOKFK-UHFFFAOYSA-N
XLogP3.59
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane?
The IUPAC name of 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane (CID 143453781) is 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane.
What is the SMILES notation for 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane?
The canonical SMILES for 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane is CC.CC1=CC(Cl)C=C(Oc2ccnc(C(N)=O)c2)C=C1.
What is the InChIKey of 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane?
The InChIKey is UAGLUIRYASOKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2.C2H6/c1-9-2-3-11(7-10(15)6-9)19-12-4-5-17-13(8-12)14(16)18;1-2/h2-8,10H,1H3,(H2,16,18);1-2H3.
What are the key properties of 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane?
4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane has a molecular weight of 306.79 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane is sourced from PubChem (CID 143453781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).