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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Related Compounds

6-(4-chlorophenyl)-2-(2-fluoro-4-pyridinyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]pyrimidine-4-carboxamide
CID 175427748
N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 175427773
6-(4-chlorophenyl)-2-(2-chloropyrimidin-5-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 165389701
N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 175427739
6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 175427756
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
CID 165389665
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
CID 138634130
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 2970246
N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74249303
6-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
CID 142597564

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).