N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide

C19H21F3N4O2 — CID 113010875

IUPACN-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NCCN2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)15-3-1-14(2-4-15)18(27)25-16-5-6-17(24-13-16)23-7-8-26-9-11-28-12-10-26/h1-6,13H,7-12H2,(H,23,24)(H,25,27)
InChIKeyNERWHNLHPSATCT-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.10
Rot. Bonds6

About N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide

N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 113010875) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID113010875
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NCCN2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)15-3-1-14(2-4-15)18(27)25-16-5-6-17(24-13-16)23-7-8-26-9-11-28-12-10-26/h1-6,13H,7-12H2,(H,23,24)(H,25,27)
InChIKeyNERWHNLHPSATCT-UHFFFAOYSA-N
XLogP3.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
methyl N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]carbamate
CID 113010883
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113025652
N-(2,6-difluorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154096
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229662
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010856
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42751288
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
CID 84558640

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 113010875) is N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(NCCN2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is NERWHNLHPSATCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)15-3-1-14(2-4-15)18(27)25-16-5-6-17(24-13-16)23-7-8-26-9-11-28-12-10-26/h1-6,13H,7-12H2,(H,23,24)(H,25,27).
What are the key properties of N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 394.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113010875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).