(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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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).