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

C23H30F2N4O4 — CID 19695824

IUPAC4-[[2-(3-amino-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(N)c1=O)C(C)C
InChIInChI=1S/C23H30F2N4O4/c1-4-12-27-22(33)23(24,25)20(31)19(14(2)3)28-18(30)13-29-17(11-10-16(26)21(29)32)15-8-6-5-7-9-15/h5-11,14,19-20,31H,4,12-13,26H2,1-3H3,(H,27,33)(H,28,30)
InChIKeyNLXYOUWSTXEZTL-UHFFFAOYSA-N
MW464.51 g/mol
LogP1.76
Rot. Bonds10

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

4-[[2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide (PubChem CID 19695824) has the molecular formula C23H30F2N4O4 and a molecular weight of 464.51 g/mol. Its IUPAC name is 4-[[2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide.

Molecular Properties

Compound Name4-[[2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
PubChem CID19695824
Molecular FormulaC23H30F2N4O4
Molecular Weight464.51 g/mol
Exact Mass464.22
IUPAC Name4-[[2-(3-amino-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(N)c1=O)C(C)C
InChIInChI=1S/C23H30F2N4O4/c1-4-12-27-22(33)23(24,25)20(31)19(14(2)3)28-18(30)13-29-17(11-10-16(26)21(29)32)15-8-6-5-7-9-15/h5-11,14,19-20,31H,4,12-13,26H2,1-3H3,(H,27,33)(H,28,30)
InChIKeyNLXYOUWSTXEZTL-UHFFFAOYSA-N
XLogP1.76
TPSA126.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The IUPAC name of 4-[[2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide (CID 19695824) is 4-[[2-(3-amino-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-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The canonical SMILES for 4-[[2-(3-amino-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(N)c1=O)C(C)C.
What is the InChIKey of 4-[[2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The InChIKey is NLXYOUWSTXEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4O4/c1-4-12-27-22(33)23(24,25)20(31)19(14(2)3)28-18(30)13-29-17(11-10-16(26)21(29)32)15-8-6-5-7-9-15/h5-11,14,19-20,31H,4,12-13,26H2,1-3H3,(H,27,33)(H,28,30).
What are the key properties of 4-[[2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
4-[[2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide has a molecular weight of 464.51 g/mol, XLogP of 1.76, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide is sourced from PubChem (CID 19695824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).