6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide

C23H17ClFN5O — CID 175427759

IUPAC6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccncc2)n1)c1ccnc(F)c1
InChIInChI=1S/C23H17ClFN5O/c1-14(17-8-11-27-21(25)12-17)28-23(31)20-13-19(15-2-4-18(24)5-3-15)29-22(30-20)16-6-9-26-10-7-16/h2-14H,1H3,(H,28,31)
InChIKeyBWMXKJSBKMTGHH-UHFFFAOYSA-N
MW433.87 g/mol
LogP4.88
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide

6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide (PubChem CID 175427759) has the molecular formula C23H17ClFN5O and a molecular weight of 433.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide
PubChem CID175427759
Molecular FormulaC23H17ClFN5O
Molecular Weight433.87 g/mol
Exact Mass433.11
IUPAC Name6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccncc2)n1)c1ccnc(F)c1
InChIInChI=1S/C23H17ClFN5O/c1-14(17-8-11-27-21(25)12-17)28-23(31)20-13-19(15-2-4-18(24)5-3-15)29-22(30-20)16-6-9-26-10-7-16/h2-14H,1H3,(H,28,31)
InChIKeyBWMXKJSBKMTGHH-UHFFFAOYSA-N
XLogP4.88
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide (CID 175427759) is 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide is CC(NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccncc2)n1)c1ccnc(F)c1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide?
The InChIKey is BWMXKJSBKMTGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5O/c1-14(17-8-11-27-21(25)12-17)28-23(31)20-13-19(15-2-4-18(24)5-3-15)29-22(30-20)16-6-9-26-10-7-16/h2-14H,1H3,(H,28,31).
What are the key properties of 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide?
6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide has a molecular weight of 433.87 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-pyridin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 175427759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).