N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

C23H29FN2O5 — CID 174041063

IUPACN-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@](C)(C=O)CO[C@@H](C)C(c2ccc(F)cc2)C(C)C)c1O
InChIInChI=1S/C23H29FN2O5/c1-14(2)19(16-6-8-17(24)9-7-16)15(3)31-13-23(4,12-27)26-22(29)20-21(28)18(30-5)10-11-25-20/h6-12,14-15,19,28H,13H2,1-5H3,(H,26,29)/t15-,19?,23+/m0/s1
InChIKeyHNRNATLHINMSPB-JYNCHBTRSA-N
MW432.49 g/mol
LogP3.47
Rot. Bonds10

About N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 174041063) has the molecular formula C23H29FN2O5 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID174041063
Molecular FormulaC23H29FN2O5
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC NameN-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@](C)(C=O)CO[C@@H](C)C(c2ccc(F)cc2)C(C)C)c1O
InChIInChI=1S/C23H29FN2O5/c1-14(2)19(16-6-8-17(24)9-7-16)15(3)31-13-23(4,12-27)26-22(29)20-21(28)18(30-5)10-11-25-20/h6-12,14-15,19,28H,13H2,1-5H3,(H,26,29)/t15-,19?,23+/m0/s1
InChIKeyHNRNATLHINMSPB-JYNCHBTRSA-N
XLogP3.47
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2S)-1-[(2S,3S)-3-(4-chlorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 174041124
[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 135199293
[(2R,3R)-3-(4-fluorophenyl)butan-2-yl] (2R)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 139472781
[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]butanoate
CID 121463633
[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl] 3,3,3-trifluoro-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121463840
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide
CID 138538614
[2-[[(2S)-1-[(1S,2S)-1-(4-fluoro-2-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]carbamothioyl]-4-methoxy-3-pyridinyl] acetate
CID 134320564
[4-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]butan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462969
[2-[[(2R)-1-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl]oxymethyl acetate
CID 155112156
[(2S,3S)-3-(3,4-difluorophenyl)-4-methylpentan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 162253224
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 174041063) is N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)N[C@](C)(C=O)CO[C@@H](C)C(c2ccc(F)cc2)C(C)C)c1O.
What is the InChIKey of N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is HNRNATLHINMSPB-JYNCHBTRSA-N. The full InChI is InChI=1S/C23H29FN2O5/c1-14(2)19(16-6-8-17(24)9-7-16)15(3)31-13-23(4,12-27)26-22(29)20-21(28)18(30-5)10-11-25-20/h6-12,14-15,19,28H,13H2,1-5H3,(H,26,29)/t15-,19?,23+/m0/s1.
What are the key properties of N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 174041063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).