6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide

C20H17FN2O3 — CID 66801358

IUPAC6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)cc([C@H](O)CO)n1
InChIInChI=1S/C20H17FN2O3/c21-16-7-5-13(6-8-16)12-1-3-14(4-2-12)15-9-17(19(25)11-24)23-18(10-15)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyZMTLVSOVVBCXRB-LJQANCHMSA-N
MW352.37 g/mol
LogP2.68
Rot. Bonds5

About 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide

6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide (PubChem CID 66801358) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide
PubChem CID66801358
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)cc([C@H](O)CO)n1
InChIInChI=1S/C20H17FN2O3/c21-16-7-5-13(6-8-16)12-1-3-14(4-2-12)15-9-17(19(25)11-24)23-18(10-15)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyZMTLVSOVVBCXRB-LJQANCHMSA-N
XLogP2.68
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide (CID 66801358) is 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)cc([C@H](O)CO)n1.
What is the InChIKey of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide?
The InChIKey is ZMTLVSOVVBCXRB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-16-7-5-13(6-8-16)12-1-3-14(4-2-12)15-9-17(19(25)11-24)23-18(10-15)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1.
What are the key properties of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide?
6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66801358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).