(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide

C17H22N4O2 — CID 128986874

IUPAC(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1ccncc1C
InChIInChI=1S/C17H22N4O2/c1-3-21-8-7-19-16(21)15-14(5-9-23-15)17(22)20-11-13-4-6-18-10-12(13)2/h4,6-8,10,14-15H,3,5,9,11H2,1-2H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyOEIQZTXDSVYQLU-HUUCEWRRSA-N
MW314.39 g/mol
LogP2.00
Rot. Bonds5

About (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide

(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide (PubChem CID 128986874) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
PubChem CID128986874
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1ccncc1C
InChIInChI=1S/C17H22N4O2/c1-3-21-8-7-19-16(21)15-14(5-9-23-15)17(22)20-11-13-4-6-18-10-12(13)2/h4,6-8,10,14-15H,3,5,9,11H2,1-2H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyOEIQZTXDSVYQLU-HUUCEWRRSA-N
XLogP2.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide
CID 128987407
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 167864411
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]oxolane-3-carboxamide
CID 128980252
(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
CID 128986871
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1H-pyrazol-4-yl)oxolane-3-carboxamide
CID 128978576
[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 128986567
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide
CID 128987699
(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128980221
(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide
CID 128986828
(2R,3R)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128970673
trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 138017013
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
CID 128986179

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide (CID 128986874) is (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide is CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1ccncc1C.
What is the InChIKey of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide?
The InChIKey is OEIQZTXDSVYQLU-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-21-8-7-19-16(21)15-14(5-9-23-15)17(22)20-11-13-4-6-18-10-12(13)2/h4,6-8,10,14-15H,3,5,9,11H2,1-2H3,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide?
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 128986874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).