3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide

C25H20F2N4O — CID 25256749

IUPAC3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(-c3ncccc3F)c2)nc1
InChIInChI=1S/C25H20F2N4O/c1-15-5-7-23(29-13-15)17-10-18(24-21(27)4-3-9-28-24)12-19(11-17)25(32)31-16(2)22-8-6-20(26)14-30-22/h3-14,16H,1-2H3,(H,31,32)/t16-/m1/s1
InChIKeyPMEILICYJRXCEI-MRXNPFEDSA-N
MW430.46 g/mol
LogP5.28
Rot. Bonds5

About 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide

3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 25256749) has the molecular formula C25H20F2N4O and a molecular weight of 430.46 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID25256749
Molecular FormulaC25H20F2N4O
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(-c3ncccc3F)c2)nc1
InChIInChI=1S/C25H20F2N4O/c1-15-5-7-23(29-13-15)17-10-18(24-21(27)4-3-9-28-24)12-19(11-17)25(32)31-16(2)22-8-6-20(26)14-30-22/h3-14,16H,1-2H3,(H,31,32)/t16-/m1/s1
InChIKeyPMEILICYJRXCEI-MRXNPFEDSA-N
XLogP5.28
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide (CID 25256749) is 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(-c3ncccc3F)c2)nc1.
What is the InChIKey of 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is PMEILICYJRXCEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H20F2N4O/c1-15-5-7-23(29-13-15)17-10-18(24-21(27)4-3-9-28-24)12-19(11-17)25(32)31-16(2)22-8-6-20(26)14-30-22/h3-14,16H,1-2H3,(H,31,32)/t16-/m1/s1.
What are the key properties of 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide?
3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 430.46 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-pyridinyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 25256749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).