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

C21H25F3N6O — CID 118308295

IUPAC3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ncccc1N1CCCCC1
InChIInChI=1S/C21H25F3N6O/c22-21(23,24)17-12-27-18(13-26-17)28-14-6-4-7-15(14)29-20(31)19-16(8-5-9-25-19)30-10-2-1-3-11-30/h5,8-9,12-15H,1-4,6-7,10-11H2,(H,27,28)(H,29,31)/t14-,15-/m0/s1
InChIKeyDUENZHAQPOELDS-GJZGRUSLSA-N
MW434.47 g/mol
LogP3.64
Rot. Bonds5

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

3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide (PubChem CID 118308295) has the molecular formula C21H25F3N6O and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide
PubChem CID118308295
Molecular FormulaC21H25F3N6O
Molecular Weight434.47 g/mol
Exact Mass434.20
IUPAC Name3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ncccc1N1CCCCC1
InChIInChI=1S/C21H25F3N6O/c22-21(23,24)17-12-27-18(13-26-17)28-14-6-4-7-15(14)29-20(31)19-16(8-5-9-25-19)30-10-2-1-3-11-30/h5,8-9,12-15H,1-4,6-7,10-11H2,(H,27,28)(H,29,31)/t14-,15-/m0/s1
InChIKeyDUENZHAQPOELDS-GJZGRUSLSA-N
XLogP3.64
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of 3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide (CID 118308295) is 3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for 3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide is O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ncccc1N1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
The InChIKey is DUENZHAQPOELDS-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H25F3N6O/c22-21(23,24)17-12-27-18(13-26-17)28-14-6-4-7-15(14)29-20(31)19-16(8-5-9-25-19)30-10-2-1-3-11-30/h5,8-9,12-15H,1-4,6-7,10-11H2,(H,27,28)(H,29,31)/t14-,15-/m0/s1.
What are the key properties of 3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 118308295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).