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

C23H21F3N4O4 — CID 118195311

IUPAC5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](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)/t18-/m1/s1
InChIKeyHZUUMTIQTOBDPQ-GOSISDBHSA-N
MW474.44 g/mol
LogP3.36
Rot. Bonds6

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

5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195311) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195311
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](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)/t18-/m1/s1
InChIKeyHZUUMTIQTOBDPQ-GOSISDBHSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Asciminib
CID 72165228
Asciminib Hydrochloride
CID 133082086
N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide
CID 44129660
6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide
CID 89907349
(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-5-(4-fluoro-1H-pyrazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)nicotinamide
CID 72545600
(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamide
CID 89908140
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118195093
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 44586134
1-(2-Hydroxyethyl)-5-[2-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide
CID 57391650
1-(2-hydroxyethyl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
CID 57396885
(R)-6-(3-Hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72544445
N-(4-(Chlorodifluoromethoxy)phenyl)-6-((3,4-dihydroxybutyl)amino)-5-(1H-pyrazol-5-yl)nicotinamide
CID 89907837

Frequently Asked Questions

What is the IUPAC name of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195311) is 5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc(CO)nc2)c1.
What is the InChIKey of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is HZUUMTIQTOBDPQ-GOSISDBHSA-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)/t18-/m1/s1.
What are the key properties of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-[6-(hydroxymethyl)-3-pyridinyl]-6-[(3R)-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-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).