5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide

C16H22F3N3O2 — CID 166333190

IUPAC5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide
SMILESCC(CCNC(=O)C1CCC(C)O1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H22F3N3O2/c1-10(7-8-20-15(23)13-5-3-11(2)24-13)22-14-6-4-12(9-21-14)16(17,18)19/h4,6,9-11,13H,3,5,7-8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMPTPWJOBMMLRGV-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.97
Rot. Bonds6

About 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide

5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide (PubChem CID 166333190) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide
PubChem CID166333190
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide
SMILESCC(CCNC(=O)C1CCC(C)O1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H22F3N3O2/c1-10(7-8-20-15(23)13-5-3-11(2)24-13)22-14-6-4-12(9-21-14)16(17,18)19/h4,6,9-11,13H,3,5,7-8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMPTPWJOBMMLRGV-UHFFFAOYSA-N
XLogP2.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide (CID 166333190) is 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide is CC(CCNC(=O)C1CCC(C)O1)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide?
The InChIKey is MPTPWJOBMMLRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10(7-8-20-15(23)13-5-3-11(2)24-13)22-14-6-4-12(9-21-14)16(17,18)19/h4,6,9-11,13H,3,5,7-8H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide?
5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide is sourced from PubChem (CID 166333190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).