N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide

C15H16F2N4O2 — CID 128989734

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ncc(F)cc1F
InChIInChI=1S/C15H16F2N4O2/c1-2-21-5-4-18-14(21)13-11(3-6-23-13)20-15(22)12-10(17)7-9(16)8-19-12/h4-5,7-8,11,13H,2-3,6H2,1H3,(H,20,22)/t11-,13-/m0/s1
InChIKeyUMWVWBQCIJZWPO-AAEUAGOBSA-N
MW322.32 g/mol
LogP1.84
Rot. Bonds4

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 128989734) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide
PubChem CID128989734
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ncc(F)cc1F
InChIInChI=1S/C15H16F2N4O2/c1-2-21-5-4-18-14(21)13-11(3-6-23-13)20-15(22)12-10(17)7-9(16)8-19-12/h4-5,7-8,11,13H,2-3,6H2,1H3,(H,20,22)/t11-,13-/m0/s1
InChIKeyUMWVWBQCIJZWPO-AAEUAGOBSA-N
XLogP1.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128967819
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 128986150
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 167954245
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 128977398
5-ethyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]furan-2-carboxamide
CID 128986202
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
CID 128986179
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 128986111
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 128986192
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 128989719
4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
CID 136588223
5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 127967879
2-cyclohexyloxy-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986230

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide (CID 128989734) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide is CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ncc(F)cc1F.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is UMWVWBQCIJZWPO-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-2-21-5-4-18-14(21)13-11(3-6-23-13)20-15(22)12-10(17)7-9(16)8-19-12/h4-5,7-8,11,13H,2-3,6H2,1H3,(H,20,22)/t11-,13-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 128989734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).