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

C20H17FN2O4 — CID 56943193

IUPAC6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc([C@H](O)CO)n1
InChIInChI=1S/C20H17FN2O4/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)13-9-17(19(25)11-24)23-18(10-13)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyXPEOHPFVNQOFMU-LJQANCHMSA-N
MW368.36 g/mol
LogP2.80
Rot. Bonds6

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

6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 56943193) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID56943193
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc([C@H](O)CO)n1
InChIInChI=1S/C20H17FN2O4/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)13-9-17(19(25)11-24)23-18(10-13)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyXPEOHPFVNQOFMU-LJQANCHMSA-N
XLogP2.80
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 71571985
6-(1,2-dihydroxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
CID 77169407
N-(1-amino-1-oxopropan-2-yl)-6-(1,2-dihydroxyethyl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 78116838
4-[(2R)-2,3-dihydroxypropyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799547
(1R)-1-[2-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
CID 66801770
4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66806391
4-[(1R)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid
CID 66668235
4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid
CID 66668236
6-[(2-amino-2-oxoethyl)amino]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 71283530
3-[2-[6-carbamoyl-4-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]anilino]propanoic acid
CID 66799504
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol
CID 56943334
4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799553

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 56943193) is 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc([C@H](O)CO)n1.
What is the InChIKey of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is XPEOHPFVNQOFMU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17FN2O4/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)13-9-17(19(25)11-24)23-18(10-13)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-fluorophenoxy)phenyl]pyridine-2-carboxamide?
6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56943193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).