6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide

C15H13ClN2O2 — CID 47380551

IUPAC6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C15H13ClN2O2/c1-2-8-20-13-5-3-4-12(9-13)18-15(19)11-6-7-14(16)17-10-11/h2-7,9-10H,1,8H2,(H,18,19)
InChIKeyCTXBPKQXDYNYSC-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.55
Rot. Bonds5

About 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide

6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide (PubChem CID 47380551) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
PubChem CID47380551
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C15H13ClN2O2/c1-2-8-20-13-5-3-4-12(9-13)18-15(19)11-6-7-14(16)17-10-11/h2-7,9-10H,1,8H2,(H,18,19)
InChIKeyCTXBPKQXDYNYSC-UHFFFAOYSA-N
XLogP3.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide
CID 46579918
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 49027316
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
CID 21367147
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide (CID 47380551) is 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide is C=CCOc1cccc(NC(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide?
The InChIKey is CTXBPKQXDYNYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-2-8-20-13-5-3-4-12(9-13)18-15(19)11-6-7-14(16)17-10-11/h2-7,9-10H,1,8H2,(H,18,19).
What are the key properties of 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide?
6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide has a molecular weight of 288.73 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 47380551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).