N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide

C19H21F3N4O — CID 18700190

IUPACN-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-4-3-5-16(14-15)26-12-10-25(11-13-26)9-8-24-18(27)17-6-1-2-7-23-17/h1-7,14H,8-13H2,(H,24,27)
InChIKeyHBJPOHDQQVIBLT-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.65
Rot. Bonds5

About N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide

N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide (PubChem CID 18700190) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide
PubChem CID18700190
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-4-3-5-16(14-15)26-12-10-25(11-13-26)9-8-24-18(27)17-6-1-2-7-23-17/h1-7,14H,8-13H2,(H,24,27)
InChIKeyHBJPOHDQQVIBLT-UHFFFAOYSA-N
XLogP2.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide (CID 18700190) is N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide is O=C(NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1.
What is the InChIKey of N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is HBJPOHDQQVIBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)15-4-3-5-16(14-15)26-12-10-25(11-13-26)9-8-24-18(27)17-6-1-2-7-23-17/h1-7,14H,8-13H2,(H,24,27).
What are the key properties of N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide?
N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 18700190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).