2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

C54H49FN6O2 — CID 67308251

IUPAC2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cc(F)cc(-c4cccnc4)c3)cc2)ccn1.Cc1cc(-c2ccnc(C)c2)cc(C(C)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1
InChIInChI=1S/C28H27N3O.C26H22FN3O/c1-18-13-25(17-26(14-18)24-10-12-30-20(3)16-24)21(4)28(32)31-27-7-5-22(6-8-27)23-9-11-29-19(2)15-23;1-17-12-20(9-11-29-17)19-5-7-25(8-6-19)30-26(31)18(2)22-13-23(15-24(27)14-22)21-4-3-10-28-16-21/h5-17,21H,1-4H3,(H,31,32);3-16,18H,1-2H3,(H,30,31)
InChIKeyRVDVHHOVTTUOLZ-UHFFFAOYSA-N
MW833.02 g/mol
LogP12.48
Rot. Bonds10

About 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 67308251) has the molecular formula C54H49FN6O2 and a molecular weight of 833.02 g/mol. Its IUPAC name is 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID67308251
Molecular FormulaC54H49FN6O2
Molecular Weight833.02 g/mol
Exact Mass832.39
IUPAC Name2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cc(F)cc(-c4cccnc4)c3)cc2)ccn1.Cc1cc(-c2ccnc(C)c2)cc(C(C)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1
InChIInChI=1S/C28H27N3O.C26H22FN3O/c1-18-13-25(17-26(14-18)24-10-12-30-20(3)16-24)21(4)28(32)31-27-7-5-22(6-8-27)23-9-11-29-19(2)15-23;1-17-12-20(9-11-29-17)19-5-7-25(8-6-19)30-26(31)18(2)22-13-23(15-24(27)14-22)21-4-3-10-28-16-21/h5-17,21H,1-4H3,(H,31,32);3-16,18H,1-2H3,(H,30,31)
InChIKeyRVDVHHOVTTUOLZ-UHFFFAOYSA-N
XLogP12.48
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.02
LogP ≤ 512.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 67308251) is 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3cc(F)cc(-c4cccnc4)c3)cc2)ccn1.Cc1cc(-c2ccnc(C)c2)cc(C(C)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1.
What is the InChIKey of 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is RVDVHHOVTTUOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O.C26H22FN3O/c1-18-13-25(17-26(14-18)24-10-12-30-20(3)16-24)21(4)28(32)31-27-7-5-22(6-8-27)23-9-11-29-19(2)15-23;1-17-12-20(9-11-29-17)19-5-7-25(8-6-19)30-26(31)18(2)22-13-23(15-24(27)14-22)21-4-3-10-28-16-21/h5-17,21H,1-4H3,(H,31,32);3-16,18H,1-2H3,(H,30,31).
What are the key properties of 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 833.02 g/mol, XLogP of 12.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-pyridin-3-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 67308251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).