2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C19H22ClF3N4O2 — CID 26604863

IUPAC2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1
InChIInChI=1S/C19H22ClF3N4O2/c1-13-3-4-15(29-13)11-25(2)17(28)12-26-5-7-27(8-6-26)18-16(20)9-14(10-24-18)19(21,22)23/h3-4,9-10H,5-8,11-12H2,1-2H3
InChIKeyCEMWCFBJVNDDHB-UHFFFAOYSA-N
MW430.86 g/mol
LogP3.44
Rot. Bonds5

About 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 26604863) has the molecular formula C19H22ClF3N4O2 and a molecular weight of 430.86 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID26604863
Molecular FormulaC19H22ClF3N4O2
Molecular Weight430.86 g/mol
Exact Mass430.14
IUPAC Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1
InChIInChI=1S/C19H22ClF3N4O2/c1-13-3-4-15(29-13)11-25(2)17(28)12-26-5-7-27(8-6-26)18-16(20)9-14(10-24-18)19(21,22)23/h3-4,9-10H,5-8,11-12H2,1-2H3
InChIKeyCEMWCFBJVNDDHB-UHFFFAOYSA-N
XLogP3.44
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.86
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 26604863) is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1.
What is the InChIKey of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is CEMWCFBJVNDDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N4O2/c1-13-3-4-15(29-13)11-25(2)17(28)12-26-5-7-27(8-6-26)18-16(20)9-14(10-24-18)19(21,22)23/h3-4,9-10H,5-8,11-12H2,1-2H3.
What are the key properties of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 430.86 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 26604863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).