4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

C13H14F3N3O3 — CID 156750142

IUPAC4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESC[C@@H]1C[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@H]1C(F)(F)F
InChIInChI=1S/C13H14F3N3O3/c1-6-4-9(22-10(6)13(14,15)16)12(21)19-7-2-3-18-8(5-7)11(17)20/h2-3,5-6,9-10H,4H2,1H3,(H2,17,20)(H,18,19,21)/t6-,9-,10+/m1/s1
InChIKeyOFCDBMALLVRMNZ-DRTBCBBWSA-N
MW317.27 g/mol
LogP1.47
Rot. Bonds3

About 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 156750142) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
PubChem CID156750142
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESC[C@@H]1C[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@H]1C(F)(F)F
InChIInChI=1S/C13H14F3N3O3/c1-6-4-9(22-10(6)13(14,15)16)12(21)19-7-2-3-18-8(5-7)11(17)20/h2-3,5-6,9-10H,4H2,1H3,(H2,17,20)(H,18,19,21)/t6-,9-,10+/m1/s1
InChIKeyOFCDBMALLVRMNZ-DRTBCBBWSA-N
XLogP1.47
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 156750142) is 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is C[C@@H]1C[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@H]1C(F)(F)F.
What is the InChIKey of 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is OFCDBMALLVRMNZ-DRTBCBBWSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-6-4-9(22-10(6)13(14,15)16)12(21)19-7-2-3-18-8(5-7)11(17)20/h2-3,5-6,9-10H,4H2,1H3,(H2,17,20)(H,18,19,21)/t6-,9-,10+/m1/s1.
What are the key properties of 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 156750142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).