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

C20H17FN2O4 — CID 56943425

IUPAC4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H17FN2O4/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)17-9-13(19(25)11-24)10-18(23-17)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyKPGTYTGPORYSDD-LJQANCHMSA-N
MW368.36 g/mol
LogP2.80
Rot. Bonds6

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

4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 56943425) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID56943425
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H17FN2O4/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)17-9-13(19(25)11-24)10-18(23-17)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyKPGTYTGPORYSDD-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-(4-(2-(Benzylamino)ethyl)phenoxy)picolinamide
CID 44434931
6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 9836230
6-[4-(4-Fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 10340527
6-[4-(4-Fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11221428
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
(R)-1-(6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)-2,3-
CID 71722102
5-(2-Fluoro-4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 166461151
(4-Fluoro-3-hydroxyphenyl)-(6-phenoxy-2-pyridinyl)methanone
CID 134136680
N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
CID 166634374
5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 166635452
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643698

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 56943425) is 4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is KPGTYTGPORYSDD-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)17-9-13(19(25)11-24)10-18(23-17)20(22)26/h1-10,19,24-25H,11H2,(H2,22,26)/t19-/m1/s1.
What are the key properties of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
4-[(1S)-1,2-dihydroxyethyl]-6-[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 4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56943425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).