(2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

C17H16F4N4O — CID 144826207

IUPAC(2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)cc(F)n1)[C@@H]1CCCN1
InChIInChI=1S/C17H16F4N4O/c18-15-7-10(13-4-3-11(8-23-13)17(19,20)21)6-12(25-15)9-24-16(26)14-2-1-5-22-14/h3-4,6-8,14,22H,1-2,5,9H2,(H,24,26)/t14-/m0/s1
InChIKeyWDELXFBVLCZVLQ-AWEZNQCLSA-N
MW368.33 g/mol
LogP2.67
Rot. Bonds4

About (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 144826207) has the molecular formula C17H16F4N4O and a molecular weight of 368.33 g/mol. Its IUPAC name is (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID144826207
Molecular FormulaC17H16F4N4O
Molecular Weight368.33 g/mol
Exact Mass368.13
IUPAC Name(2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)cc(F)n1)[C@@H]1CCCN1
InChIInChI=1S/C17H16F4N4O/c18-15-7-10(13-4-3-11(8-23-13)17(19,20)21)6-12(25-15)9-24-16(26)14-2-1-5-22-14/h3-4,6-8,14,22H,1-2,5,9H2,(H,24,26)/t14-/m0/s1
InChIKeyWDELXFBVLCZVLQ-AWEZNQCLSA-N
XLogP2.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 144826207) is (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)cc(F)n1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WDELXFBVLCZVLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16F4N4O/c18-15-7-10(13-4-3-11(8-23-13)17(19,20)21)6-12(25-15)9-24-16(26)14-2-1-5-22-14/h3-4,6-8,14,22H,1-2,5,9H2,(H,24,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 368.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144826207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).