(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide

C17H22N4O2 — CID 128987407

IUPAC(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide
SMILESCCc1cnccc1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC
InChIInChI=1S/C17H22N4O2/c1-3-12-11-18-7-5-14(12)20-17(22)13-6-10-23-15(13)16-19-8-9-21(16)4-2/h5,7-9,11,13,15H,3-4,6,10H2,1-2H3,(H,18,20,22)/t13-,15-/m1/s1
InChIKeyNVIZVBXTPKSZIG-UKRRQHHQSA-N
MW314.39 g/mol
LogP2.58
Rot. Bonds5

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

(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide (PubChem CID 128987407) 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-ethyl-4-pyridinyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide
PubChem CID128987407
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide
SMILESCCc1cnccc1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC
InChIInChI=1S/C17H22N4O2/c1-3-12-11-18-7-5-14(12)20-17(22)13-6-10-23-15(13)16-19-8-9-21(16)4-2/h5,7-9,11,13,15H,3-4,6,10H2,1-2H3,(H,18,20,22)/t13-,15-/m1/s1
InChIKeyNVIZVBXTPKSZIG-UKRRQHHQSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
CID 128986874
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1H-pyrazol-4-yl)oxolane-3-carboxamide
CID 128978576
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-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide
CID 128987699
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]oxolane-3-carboxamide
CID 128980252
5-ethyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]furan-2-carboxamide
CID 128986202
N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide
CID 129001486
(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide
CID 128986828
[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 128986567
2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid
CID 122067590
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(1-methylpyrazol-3-yl)urea
CID 128982943
cis-(1S,3R)-3-[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066905

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide (CID 128987407) is (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide is CCc1cnccc1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC.
What is the InChIKey of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide?
The InChIKey is NVIZVBXTPKSZIG-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-12-11-18-7-5-14(12)20-17(22)13-6-10-23-15(13)16-19-8-9-21(16)4-2/h5,7-9,11,13,15H,3-4,6,10H2,1-2H3,(H,18,20,22)/t13-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide?
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.58, 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-ethyl-4-pyridinyl)oxolane-3-carboxamide is sourced from PubChem (CID 128987407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).