4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide

C16H17F3N6O — CID 170163113

IUPAC4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2nccnc2Nc2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C16H17F3N6O/c17-16(18,19)10-1-3-11(4-2-10)24-14-15(23-6-5-22-14)25-8-7-21-12(9-25)13(20)26/h1-6,12,21H,7-9H2,(H2,20,26)(H,22,24)
InChIKeyWVPFIEIUTZLQRN-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.50
Rot. Bonds4

About 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide

4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide (PubChem CID 170163113) has the molecular formula C16H17F3N6O and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide
PubChem CID170163113
Molecular FormulaC16H17F3N6O
Molecular Weight366.35 g/mol
Exact Mass366.14
IUPAC Name4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2nccnc2Nc2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C16H17F3N6O/c17-16(18,19)10-1-3-11(4-2-10)24-14-15(23-6-5-22-14)25-8-7-21-12(9-25)13(20)26/h1-6,12,21H,7-9H2,(H2,20,26)(H,22,24)
InChIKeyWVPFIEIUTZLQRN-UHFFFAOYSA-N
XLogP1.50
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid
CID 170161346
1-[(2R)-2-(hydroxymethyl)-4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazin-1-yl]prop-2-en-1-one
CID 172634926
3-[(2S)-2-(hydroxymethyl)-4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazin-1-yl]prop-2-enal
CID 174106578
tert-butyl 2-(2-hydroxyethyl)-4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-1-carboxylate
CID 170162849
tert-butyl (2S)-2-prop-2-ynyl-4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-1-carboxylate
CID 170162414
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344298
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297
(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
CID 97176850
4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 71649700
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide?
The IUPAC name of 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide (CID 170163113) is 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide is NC(=O)C1CN(c2nccnc2Nc2ccc(C(F)(F)F)cc2)CCN1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide?
The InChIKey is WVPFIEIUTZLQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O/c17-16(18,19)10-1-3-11(4-2-10)24-14-15(23-6-5-22-14)25-8-7-21-12(9-25)13(20)26/h1-6,12,21H,7-9H2,(H2,20,26)(H,22,24).
What are the key properties of 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide?
4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide is sourced from PubChem (CID 170163113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).