2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide

C15H15ClFN3O — CID 62165502

IUPAC2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C15H15ClFN3O/c1-2-7-18-14-9-10(8-13(16)20-14)15(21)19-12-5-3-11(17)4-6-12/h3-6,8-9H,2,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyWHLYERSNEXGBAV-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.95
Rot. Bonds5

About 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide (PubChem CID 62165502) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide
PubChem CID62165502
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C15H15ClFN3O/c1-2-7-18-14-9-10(8-13(16)20-14)15(21)19-12-5-3-11(17)4-6-12/h3-6,8-9H,2,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyWHLYERSNEXGBAV-UHFFFAOYSA-N
XLogP3.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide (CID 62165502) is 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is WHLYERSNEXGBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-2-7-18-14-9-10(8-13(16)20-14)15(21)19-12-5-3-11(17)4-6-12/h3-6,8-9H,2,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62165502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).