(2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

C17H17F3N4O — CID 122696106

IUPAC(2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)12-3-4-14(23-9-12)11-5-7-21-13(8-11)10-24-16(25)15-2-1-6-22-15/h3-5,7-9,15,22H,1-2,6,10H2,(H,24,25)/t15-/m0/s1
InChIKeyILTRKZGDLYHNJQ-HNNXBMFYSA-N
MW350.34 g/mol
LogP2.53
Rot. Bonds4

About (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 122696106) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID122696106
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name(2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)12-3-4-14(23-9-12)11-5-7-21-13(8-11)10-24-16(25)15-2-1-6-22-15/h3-5,7-9,15,22H,1-2,6,10H2,(H,24,25)/t15-/m0/s1
InChIKeyILTRKZGDLYHNJQ-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 122696106) is (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ILTRKZGDLYHNJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)12-3-4-14(23-9-12)11-5-7-21-13(8-11)10-24-16(25)15-2-1-6-22-15/h3-5,7-9,15,22H,1-2,6,10H2,(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]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 (2S)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122696106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).