5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H21F3N4O4 — CID 118195312

IUPAC5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2ccc(CO)nc2)c1
InChIInChI=1S/C23H21F3N4O4/c24-23(25,26)34-19-5-3-16(4-6-19)29-22(33)15-9-20(14-1-2-17(13-31)27-10-14)21(28-11-15)30-8-7-18(32)12-30/h1-6,9-11,18,31-32H,7-8,12-13H2,(H,29,33)
InChIKeyHZUUMTIQTOBDPQ-UHFFFAOYSA-N
MW474.44 g/mol
LogP3.36
Rot. Bonds6

About 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195312) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195312
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2ccc(CO)nc2)c1
InChIInChI=1S/C23H21F3N4O4/c24-23(25,26)34-19-5-3-16(4-6-19)29-22(33)15-9-20(14-1-2-17(13-31)27-10-14)21(28-11-15)30-8-7-18(32)12-30/h1-6,9-11,18,31-32H,7-8,12-13H2,(H,29,33)
InChIKeyHZUUMTIQTOBDPQ-UHFFFAOYSA-N
XLogP3.36
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195312) is 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2ccc(CO)nc2)c1.
What is the InChIKey of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is HZUUMTIQTOBDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c24-23(25,26)34-19-5-3-16(4-6-19)29-22(33)15-9-20(14-1-2-17(13-31)27-10-14)21(28-11-15)30-8-7-18(32)12-30/h1-6,9-11,18,31-32H,7-8,12-13H2,(H,29,33).
What are the key properties of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(hydroxymethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).