N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

C18H18F3N3O2 — CID 137067137

IUPACN-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)C1CCCN1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)12-3-4-13(16(25)9-12)15-8-11(5-7-23-15)10-24-17(26)14-2-1-6-22-14/h3-5,7-9,14,22,25H,1-2,6,10H2,(H,24,26)
InChIKeyZBWDCWJYPHWZFF-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.84
Rot. Bonds4

About N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 137067137) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID137067137
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)C1CCCN1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)12-3-4-13(16(25)9-12)15-8-11(5-7-23-15)10-24-17(26)14-2-1-6-22-14/h3-5,7-9,14,22,25H,1-2,6,10H2,(H,24,26)
InChIKeyZBWDCWJYPHWZFF-UHFFFAOYSA-N
XLogP2.84
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847050
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118288752
(2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 144826207
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 123919664
(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
CID 119859955

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 137067137) is N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)C1CCCN1.
What is the InChIKey of N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZBWDCWJYPHWZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)12-3-4-13(16(25)9-12)15-8-11(5-7-23-15)10-24-17(26)14-2-1-6-22-14/h3-5,7-9,14,22,25H,1-2,6,10H2,(H,24,26).
What are the key properties of N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 137067137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).