N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide

C20H18F3N5OS — CID 2741895

IUPACN-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1)c1cccs1
InChIInChI=1S/C20H18F3N5OS/c21-20(22,23)15-3-1-7-24-18(15)28-10-8-27(9-11-28)17-6-5-14(13-25-17)26-19(29)16-4-2-12-30-16/h1-7,12-13H,8-11H2,(H,26,29)
InChIKeyXPOPNPKBWKKOTM-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.14
Rot. Bonds4

About N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide

N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 2741895) has the molecular formula C20H18F3N5OS and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
PubChem CID2741895
Molecular FormulaC20H18F3N5OS
Molecular Weight433.46 g/mol
Exact Mass433.12
IUPAC NameN-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1)c1cccs1
InChIInChI=1S/C20H18F3N5OS/c21-20(22,23)15-3-1-7-24-18(15)28-10-8-27(9-11-28)17-6-5-14(13-25-17)26-19(29)16-4-2-12-30-16/h1-7,12-13H,8-11H2,(H,26,29)
InChIKeyXPOPNPKBWKKOTM-UHFFFAOYSA-N
XLogP4.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide (CID 2741895) is N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1)c1cccs1.
What is the InChIKey of N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is XPOPNPKBWKKOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5OS/c21-20(22,23)15-3-1-7-24-18(15)28-10-8-27(9-11-28)17-6-5-14(13-25-17)26-19(29)16-4-2-12-30-16/h1-7,12-13H,8-11H2,(H,26,29).
What are the key properties of N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 2741895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).