4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide

C25H32F2N4O5 — CID 19695825

IUPAC4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
SMILESCCCNC(=O)C(F)(F)C(O)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(C)=O)c1=O)C(C)C
InChIInChI=1S/C25H32F2N4O5/c1-5-13-28-24(36)25(26,27)22(34)21(15(2)3)30-20(33)14-31-19(17-9-7-6-8-10-17)12-11-18(23(31)35)29-16(4)32/h6-12,15,21-22,34H,5,13-14H2,1-4H3,(H,28,36)(H,29,32)(H,30,33)
InChIKeyYHFXLLHCKQSCHC-UHFFFAOYSA-N
MW506.55 g/mol
LogP2.14
Rot. Bonds11

About 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide

4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide (PubChem CID 19695825) has the molecular formula C25H32F2N4O5 and a molecular weight of 506.55 g/mol. Its IUPAC name is 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide.

Molecular Properties

Compound Name4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
PubChem CID19695825
Molecular FormulaC25H32F2N4O5
Molecular Weight506.55 g/mol
Exact Mass506.23
IUPAC Name4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
SMILESCCCNC(=O)C(F)(F)C(O)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(C)=O)c1=O)C(C)C
InChIInChI=1S/C25H32F2N4O5/c1-5-13-28-24(36)25(26,27)22(34)21(15(2)3)30-20(33)14-31-19(17-9-7-6-8-10-17)12-11-18(23(31)35)29-16(4)32/h6-12,15,21-22,34H,5,13-14H2,1-4H3,(H,28,36)(H,29,32)(H,30,33)
InChIKeyYHFXLLHCKQSCHC-UHFFFAOYSA-N
XLogP2.14
TPSA129.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.55
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The IUPAC name of 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide (CID 19695825) is 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide.
What is the SMILES notation for 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The canonical SMILES for 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide is CCCNC(=O)C(F)(F)C(O)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(C)=O)c1=O)C(C)C.
What is the InChIKey of 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The InChIKey is YHFXLLHCKQSCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N4O5/c1-5-13-28-24(36)25(26,27)22(34)21(15(2)3)30-20(33)14-31-19(17-9-7-6-8-10-17)12-11-18(23(31)35)29-16(4)32/h6-12,15,21-22,34H,5,13-14H2,1-4H3,(H,28,36)(H,29,32)(H,30,33).
What are the key properties of 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide has a molecular weight of 506.55 g/mol, XLogP of 2.14, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide is sourced from PubChem (CID 19695825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).