N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C21H20F3N5O2 — CID 129033055

IUPACN-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnoc2)CC1)c1ccccn1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)16-4-5-19(18(11-16)27-20(30)17-3-1-2-6-25-17)29-9-7-28(8-10-29)13-15-12-26-31-14-15/h1-6,11-12,14H,7-10,13H2,(H,27,30)
InChIKeyNNSMUDGHOBFXPX-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.66
Rot. Bonds5

About N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 129033055) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID129033055
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC NameN-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnoc2)CC1)c1ccccn1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)16-4-5-19(18(11-16)27-20(30)17-3-1-2-6-25-17)29-9-7-28(8-10-29)13-15-12-26-31-14-15/h1-6,11-12,14H,7-10,13H2,(H,27,30)
InChIKeyNNSMUDGHOBFXPX-UHFFFAOYSA-N
XLogP3.66
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]-5-[[(E)-4-pyridin-3-ylbut-3-enoyl]amino]pyridine-2-carboxamide
CID 162492459
ALP-POS-95f71980-4
CID 156906387
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-picolinamide
CID 129032618
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)isoxazole-5-carboxamide
CID 129032619
N-(2-(4-(isoxazol-5-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)picolinamide
CID 129032624
WO2022091056, Example 29
CID 164514272
WO2022091056, Example 143
CID 164514369
WO2022091056, Example 162
CID 164514388
N-[3-fluoro-4-[[(3S)-1-prop-2-enoylpiperidine-3-carbonyl]amino]phenyl]-6-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 156867603
N-[3-fluoro-4-[[(3R)-1-prop-2-enoylpiperidine-3-carbonyl]amino]phenyl]-6-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 170687589
6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268578
2-formyl-1-[2-[N-methyl-4-(trifluoromethyl)anilino]ethyl]-N-pyridin-3-ylpyrrole-3-carboxamide
CID 134463462

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 129033055) is N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnoc2)CC1)c1ccccn1.
What is the InChIKey of N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is NNSMUDGHOBFXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c22-21(23,24)16-4-5-19(18(11-16)27-20(30)17-3-1-2-6-25-17)29-9-7-28(8-10-29)13-15-12-26-31-14-15/h1-6,11-12,14H,7-10,13H2,(H,27,30).
What are the key properties of N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 129033055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).