N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide

C18H19F3N4O3 — CID 8008529

IUPACN-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H19F3N4O3/c1-12(23-16(26)14-3-2-10-28-14)17(27)25-8-6-24(7-9-25)15-5-4-13(11-22-15)18(19,20)21/h2-5,10-12H,6-9H2,1H3,(H,23,26)/t12-/m0/s1
InChIKeyQLYRXJWKJBLJLY-LBPRGKRZSA-N
MW396.37 g/mol
LogP2.16
Rot. Bonds4

About N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide

N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide (PubChem CID 8008529) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
PubChem CID8008529
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC NameN-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H19F3N4O3/c1-12(23-16(26)14-3-2-10-28-14)17(27)25-8-6-24(7-9-25)15-5-4-13(11-22-15)18(19,20)21/h2-5,10-12H,6-9H2,1H3,(H,23,26)/t12-/m0/s1
InChIKeyQLYRXJWKJBLJLY-LBPRGKRZSA-N
XLogP2.16
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide (CID 8008529) is N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide?
The InChIKey is QLYRXJWKJBLJLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-12(23-16(26)14-3-2-10-28-14)17(27)25-8-6-24(7-9-25)15-5-4-13(11-22-15)18(19,20)21/h2-5,10-12H,6-9H2,1H3,(H,23,26)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide?
N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 8008529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).