N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C19H18F3N5O3 — CID 71187319

IUPACN-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCOc1ccc(N(C)CCNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)nc1
InChIInChI=1S/C19H18F3N5O3/c1-27(15-7-6-14(29-2)11-24-15)9-8-23-17(28)13-5-3-4-12(10-13)16-25-18(30-26-16)19(20,21)22/h3-7,10-11H,8-9H2,1-2H3,(H,23,28)
InChIKeyBNIUUHQMPXGLQM-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.03
Rot. Bonds7

About N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71187319) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71187319
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC NameN-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCOc1ccc(N(C)CCNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)nc1
InChIInChI=1S/C19H18F3N5O3/c1-27(15-7-6-14(29-2)11-24-15)9-8-23-17(28)13-5-3-4-12(10-13)16-25-18(30-26-16)19(20,21)22/h3-7,10-11H,8-9H2,1-2H3,(H,23,28)
InChIKeyBNIUUHQMPXGLQM-UHFFFAOYSA-N
XLogP3.03
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71187319) is N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is COc1ccc(N(C)CCNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)nc1.
What is the InChIKey of N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is BNIUUHQMPXGLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-27(15-7-6-14(29-2)11-24-15)9-8-23-17(28)13-5-3-4-12(10-13)16-25-18(30-26-16)19(20,21)22/h3-7,10-11H,8-9H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 421.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methoxy-2-pyridinyl)-methylamino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71187319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).