N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide

C17H17F3N4O — CID 118288752

IUPACN-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(-c2cnc(C(F)(F)F)cn2)c1)C1CCCN1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)15-10-22-14(9-23-15)12-4-1-3-11(7-12)8-24-16(25)13-5-2-6-21-13/h1,3-4,7,9-10,13,21H,2,5-6,8H2,(H,24,25)
InChIKeyNUXFCBWZAYQYGF-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.53
Rot. Bonds4

About N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide

N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 118288752) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID118288752
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(-c2cnc(C(F)(F)F)cn2)c1)C1CCCN1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)15-10-22-14(9-23-15)12-4-1-3-11(7-12)8-24-16(25)13-5-2-6-21-13/h1,3-4,7,9-10,13,21H,2,5-6,8H2,(H,24,25)
InChIKeyNUXFCBWZAYQYGF-UHFFFAOYSA-N
XLogP2.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
(2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118008292
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 137067137
N-[[3-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 123919664
(2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 144826207
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847050

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 118288752) is N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccc(-c2cnc(C(F)(F)F)cn2)c1)C1CCCN1.
What is the InChIKey of N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NUXFCBWZAYQYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)15-10-22-14(9-23-15)12-4-1-3-11(7-12)8-24-16(25)13-5-2-6-21-13/h1,3-4,7,9-10,13,21H,2,5-6,8H2,(H,24,25).
What are the key properties of N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118288752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).