N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide

C27H22FN3O4 — CID 158066665

IUPACN-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Cc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)c1ccccn1
InChIInChI=1S/C27H22FN3O4/c28-19-9-13-22(14-10-19)35-21-11-7-18(8-12-21)23-6-3-4-20(30-23)16-26(33)25(17-32)31-27(34)24-5-1-2-15-29-24/h1-15,25,32H,16-17H2,(H,31,34)/t25-/m0/s1
InChIKeySIWMIPRWEQTGKO-VWLOTQADSA-N
MW471.49 g/mol
LogP3.98
Rot. Bonds9

About N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide

N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide (PubChem CID 158066665) has the molecular formula C27H22FN3O4 and a molecular weight of 471.49 g/mol. Its IUPAC name is N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide
PubChem CID158066665
Molecular FormulaC27H22FN3O4
Molecular Weight471.49 g/mol
Exact Mass471.16
IUPAC NameN-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Cc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)c1ccccn1
InChIInChI=1S/C27H22FN3O4/c28-19-9-13-22(14-10-19)35-21-11-7-18(8-12-21)23-6-3-4-20(30-23)16-26(33)25(17-32)31-27(34)24-5-1-2-15-29-24/h1-15,25,32H,16-17H2,(H,31,34)/t25-/m0/s1
InChIKeySIWMIPRWEQTGKO-VWLOTQADSA-N
XLogP3.98
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 71144018
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide (CID 158066665) is N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide is O=C(N[C@@H](CO)C(=O)Cc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)c1ccccn1.
What is the InChIKey of N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide?
The InChIKey is SIWMIPRWEQTGKO-VWLOTQADSA-N. The full InChI is InChI=1S/C27H22FN3O4/c28-19-9-13-22(14-10-19)35-21-11-7-18(8-12-21)23-6-3-4-20(30-23)16-26(33)25(17-32)31-27(34)24-5-1-2-15-29-24/h1-15,25,32H,16-17H2,(H,31,34)/t25-/m0/s1.
What are the key properties of N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide?
N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158066665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).