6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C23H18FN5O — CID 112854155

IUPAC6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Nc2cccc(F)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H18FN5O/c24-18-7-4-8-19(13-18)27-21-14-20(23(30)26-15-16-9-11-25-12-10-16)28-22(29-21)17-5-2-1-3-6-17/h1-14H,15H2,(H,26,30)(H,27,28,29)
InChIKeyJDUTVQGAXHHJEA-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.35
Rot. Bonds6

About 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 112854155) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID112854155
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Nc2cccc(F)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H18FN5O/c24-18-7-4-8-19(13-18)27-21-14-20(23(30)26-15-16-9-11-25-12-10-16)28-22(29-21)17-5-2-1-3-6-17/h1-14H,15H2,(H,26,30)(H,27,28,29)
InChIKeyJDUTVQGAXHHJEA-UHFFFAOYSA-N
XLogP4.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine
CID 827706
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078308
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853925

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 112854155) is 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccncc1)c1cc(Nc2cccc(F)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is JDUTVQGAXHHJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-18-7-4-8-19(13-18)27-21-14-20(23(30)26-15-16-9-11-25-12-10-16)28-22(29-21)17-5-2-1-3-6-17/h1-14H,15H2,(H,26,30)(H,27,28,29).
What are the key properties of 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112854155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).