N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide

C24H31FN4O5 — CID 142867269

IUPACN-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide
SMILESCNC(=O)CC(O)C(=O)CC(C)C.NC(=O)CC(NC(=O)c1ccc(F)nc1)c1ccccc1
InChIInChI=1S/C15H14FN3O2.C9H17NO3/c16-13-7-6-11(9-18-13)15(21)19-12(8-14(17)20)10-4-2-1-3-5-10;1-6(2)4-7(11)8(12)5-9(13)10-3/h1-7,9,12H,8H2,(H2,17,20)(H,19,21);6,8,12H,4-5H2,1-3H3,(H,10,13)
InChIKeyJRUIIXICUZEGBM-UHFFFAOYSA-N
MW474.53 g/mol
LogP1.67
Rot. Bonds10

About N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide

N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide (PubChem CID 142867269) has the molecular formula C24H31FN4O5 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide
PubChem CID142867269
Molecular FormulaC24H31FN4O5
Molecular Weight474.53 g/mol
Exact Mass474.23
IUPAC NameN-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide
SMILESCNC(=O)CC(O)C(=O)CC(C)C.NC(=O)CC(NC(=O)c1ccc(F)nc1)c1ccccc1
InChIInChI=1S/C15H14FN3O2.C9H17NO3/c16-13-7-6-11(9-18-13)15(21)19-12(8-14(17)20)10-4-2-1-3-5-10;1-6(2)4-7(11)8(12)5-9(13)10-3/h1-7,9,12H,8H2,(H2,17,20)(H,19,21);6,8,12H,4-5H2,1-3H3,(H,10,13)
InChIKeyJRUIIXICUZEGBM-UHFFFAOYSA-N
XLogP1.67
TPSA151.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
N-(3-amino-3-oxo-1-phenylpropyl)butanamide
CID 44600497
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
6-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyridine-3-carboxamide
CID 123528427
2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide
CID 167008521
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
3-benzamido-3-phenylpropanoic acid
CID 2834576

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide?
The IUPAC name of N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide (CID 142867269) is N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide.
What is the SMILES notation for N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide?
The canonical SMILES for N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide is CNC(=O)CC(O)C(=O)CC(C)C.NC(=O)CC(NC(=O)c1ccc(F)nc1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide?
The InChIKey is JRUIIXICUZEGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2.C9H17NO3/c16-13-7-6-11(9-18-13)15(21)19-12(8-14(17)20)10-4-2-1-3-5-10;1-6(2)4-7(11)8(12)5-9(13)10-3/h1-7,9,12H,8H2,(H2,17,20)(H,19,21);6,8,12H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide?
N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide has a molecular weight of 474.53 g/mol, XLogP of 1.67, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide is sourced from PubChem (CID 142867269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).