N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide

C16H16F3N5O2 — CID 164641380

IUPACN-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1O)c1cnccn1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)10-1-2-14(22-7-10)24-6-3-11(13(25)9-24)23-15(26)12-8-20-4-5-21-12/h1-2,4-5,7-8,11,13,25H,3,6,9H2,(H,23,26)/t11-,13-/m0/s1
InChIKeyWQUUOYYMVNOSHN-AAEUAGOBSA-N
MW367.33 g/mol
LogP1.26
Rot. Bonds3

About N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide

N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 164641380) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID164641380
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC NameN-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1O)c1cnccn1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)10-1-2-14(22-7-10)24-6-3-11(13(25)9-24)23-15(26)12-8-20-4-5-21-12/h1-2,4-5,7-8,11,13,25H,3,6,9H2,(H,23,26)/t11-,13-/m0/s1
InChIKeyWQUUOYYMVNOSHN-AAEUAGOBSA-N
XLogP1.26
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide (CID 164641380) is N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide is O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1O)c1cnccn1.
What is the InChIKey of N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is WQUUOYYMVNOSHN-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)10-1-2-14(22-7-10)24-6-3-11(13(25)9-24)23-15(26)12-8-20-4-5-21-12/h1-2,4-5,7-8,11,13,25H,3,6,9H2,(H,23,26)/t11-,13-/m0/s1.
What are the key properties of N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide?
N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 164641380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).