6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide

C20H19FN2O3 — CID 174682073

IUPAC6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(C2(F)C=CC(c3ccccc3)=CC2)cc(C(O)CO)n1
InChIInChI=1S/C20H19FN2O3/c21-20(8-6-14(7-9-20)13-4-2-1-3-5-13)15-10-16(18(25)12-24)23-17(11-15)19(22)26/h1-8,10-11,18,24-25H,9,12H2,(H2,22,26)
InChIKeyGZYNKORCQDUUTA-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.41
Rot. Bonds5

About 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide

6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide (PubChem CID 174682073) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide
PubChem CID174682073
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(C2(F)C=CC(c3ccccc3)=CC2)cc(C(O)CO)n1
InChIInChI=1S/C20H19FN2O3/c21-20(8-6-14(7-9-20)13-4-2-1-3-5-13)15-10-16(18(25)12-24)23-17(11-15)19(22)26/h1-8,10-11,18,24-25H,9,12H2,(H2,22,26)
InChIKeyGZYNKORCQDUUTA-UHFFFAOYSA-N
XLogP2.41
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide (CID 174682073) is 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide is NC(=O)c1cc(C2(F)C=CC(c3ccccc3)=CC2)cc(C(O)CO)n1.
What is the InChIKey of 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide?
The InChIKey is GZYNKORCQDUUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-20(8-6-14(7-9-20)13-4-2-1-3-5-13)15-10-16(18(25)12-24)23-17(11-15)19(22)26/h1-8,10-11,18,24-25H,9,12H2,(H2,22,26).
What are the key properties of 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide?
6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 174682073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).