2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide

C24H17F2N3O — CID 45274010

IUPAC2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide
SMILESCc1ccc(-c2cccnc2)cc1-c1ccc(NC(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C24H17F2N3O/c1-15-4-5-16(17-3-2-10-27-13-17)11-21(15)23-9-7-19(14-28-23)29-24(30)20-8-6-18(25)12-22(20)26/h2-14H,1H3,(H,29,30)
InChIKeyJDPFAIFCQQLCGW-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.65
Rot. Bonds4

About 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide

2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide (PubChem CID 45274010) has the molecular formula C24H17F2N3O and a molecular weight of 401.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide
PubChem CID45274010
Molecular FormulaC24H17F2N3O
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide
SMILESCc1ccc(-c2cccnc2)cc1-c1ccc(NC(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C24H17F2N3O/c1-15-4-5-16(17-3-2-10-27-13-17)11-21(15)23-9-7-19(14-28-23)29-24(30)20-8-6-18(25)12-22(20)26/h2-14H,1H3,(H,29,30)
InChIKeyJDPFAIFCQQLCGW-UHFFFAOYSA-N
XLogP5.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide (CID 45274010) is 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide is Cc1ccc(-c2cccnc2)cc1-c1ccc(NC(=O)c2ccc(F)cc2F)cn1.
What is the InChIKey of 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide?
The InChIKey is JDPFAIFCQQLCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O/c1-15-4-5-16(17-3-2-10-27-13-17)11-21(15)23-9-7-19(14-28-23)29-24(30)20-8-6-18(25)12-22(20)26/h2-14H,1H3,(H,29,30).
What are the key properties of 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide?
2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide has a molecular weight of 401.42 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[6-(2-methyl-5-pyridin-3-ylphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 45274010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).