3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide

C18H20F3N5O2 — CID 118308079

IUPAC3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide
SMILESCCOc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C18H20F3N5O2/c1-2-28-13-7-4-8-22-16(13)17(27)26-12-6-3-5-11(12)25-15-10-23-14(9-24-15)18(19,20)21/h4,7-12H,2-3,5-6H2,1H3,(H,24,25)(H,26,27)/t11-,12-/m0/s1
InChIKeyUNOCWCFKRCVLND-RYUDHWBXSA-N
MW395.39 g/mol
LogP3.05
Rot. Bonds6

About 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide

3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide (PubChem CID 118308079) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide
PubChem CID118308079
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide
SMILESCCOc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C18H20F3N5O2/c1-2-28-13-7-4-8-22-16(13)17(27)26-12-6-3-5-11(12)25-15-10-23-14(9-24-15)18(19,20)21/h4,7-12H,2-3,5-6H2,1H3,(H,24,25)(H,26,27)/t11-,12-/m0/s1
InChIKeyUNOCWCFKRCVLND-RYUDHWBXSA-N
XLogP3.05
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide (CID 118308079) is 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide is CCOc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1.
What is the InChIKey of 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
The InChIKey is UNOCWCFKRCVLND-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-2-28-13-7-4-8-22-16(13)17(27)26-12-6-3-5-11(12)25-15-10-23-14(9-24-15)18(19,20)21/h4,7-12H,2-3,5-6H2,1H3,(H,24,25)(H,26,27)/t11-,12-/m0/s1.
What are the key properties of 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 118308079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).