2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide

C15H15ClFN3O — CID 62165509

IUPAC2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCc2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C15H15ClFN3O/c1-2-18-14-8-11(7-13(16)20-14)15(21)19-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYKMMNHAWFMNRHC-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.24
Rot. Bonds5

About 2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 62165509) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID62165509
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCc2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C15H15ClFN3O/c1-2-18-14-8-11(7-13(16)20-14)15(21)19-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYKMMNHAWFMNRHC-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide (CID 62165509) is 2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide is CCNc1cc(C(=O)NCc2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is YKMMNHAWFMNRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-2-18-14-8-11(7-13(16)20-14)15(21)19-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 62165509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).