N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H21F3N4O2 — CID 51111953

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C19H21F3N4O2/c1-25-8-10-26(11-9-25)16-5-3-2-4-15(16)24-18(27)14-6-7-17(23-12-14)28-13-19(20,21)22/h2-7,12H,8-11,13H2,1H3,(H,24,27)
InChIKeyZEGZPIUHKZHLED-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 51111953) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID51111953
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C19H21F3N4O2/c1-25-8-10-26(11-9-25)16-5-3-2-4-15(16)24-18(27)14-6-7-17(23-12-14)28-13-19(20,21)22/h2-7,12H,8-11,13H2,1H3,(H,24,27)
InChIKeyZEGZPIUHKZHLED-UHFFFAOYSA-N
XLogP3.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171812
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46563842
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56556000
6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
CID 57327107
N-(2-ethoxy-4-fluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87006231

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 51111953) is N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CN1CCN(c2ccccc2NC(=O)c2ccc(OCC(F)(F)F)nc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ZEGZPIUHKZHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-25-8-10-26(11-9-25)16-5-3-2-4-15(16)24-18(27)14-6-7-17(23-12-14)28-13-19(20,21)22/h2-7,12H,8-11,13H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 51111953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).