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

C23H21F3N4O4 — CID 118195141

IUPAC6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCOc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C23H21F3N4O4/c1-33-19-8-14(10-27-12-19)20-9-15(11-28-21(20)30-7-6-17(31)13-30)22(32)29-16-2-4-18(5-3-16)34-23(24,25)26/h2-5,8-12,17,31H,6-7,13H2,1H3,(H,29,32)/t17-/m1/s1
InChIKeyGDXGGCSXNWKUKL-QGZVFWFLSA-N
MW474.44 g/mol
LogP3.87
Rot. Bonds6

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

6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195141) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195141
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCOc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C23H21F3N4O4/c1-33-19-8-14(10-27-12-19)20-9-15(11-28-21(20)30-7-6-17(31)13-30)22(32)29-16-2-4-18(5-3-16)34-23(24,25)26/h2-5,8-12,17,31H,6-7,13H2,1H3,(H,29,32)/t17-/m1/s1
InChIKeyGDXGGCSXNWKUKL-QGZVFWFLSA-N
XLogP3.87
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-5-((1S)-2,2-difluoro-4-(2-(4-(trifluoromethoxy)phenyl)acetyl)cyclopentyloxy)-N-methylnicotinamide
CID 118868365
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)-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-(4-methoxyanilino)pyridine-3-carboxamide
CID 44586131
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 44586134
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 44586168
1-(2-Hydroxyethyl)-5-[2-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide
CID 57391650
(R)-6-(3-Hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72544445
(S)-6-(3-Hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 118195200
6-((3-Hydroxypropyl)amino)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 118195331
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 124156671

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195141) is 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is COc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.
What is the InChIKey of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is GDXGGCSXNWKUKL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-33-19-8-14(10-27-12-19)20-9-15(11-28-21(20)30-7-6-17(31)13-30)22(32)29-16-2-4-18(5-3-16)34-23(24,25)26/h2-5,8-12,17,31H,6-7,13H2,1H3,(H,29,32)/t17-/m1/s1.
What are the key properties of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).