(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

C16H20N4O3 — CID 167843656

IUPAC(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)cn1
InChIInChI=1S/C16H20N4O3/c1-3-22-13-5-4-11(10-18-13)19-16(21)12-6-9-23-14(12)15-17-7-8-20(15)2/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3,(H,19,21)/t12-,14-/m1/s1
InChIKeyCRIGPXUXHZYCOP-TZMCWYRMSA-N
MW316.36 g/mol
LogP1.93
Rot. Bonds5

About (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 167843656) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID167843656
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)cn1
InChIInChI=1S/C16H20N4O3/c1-3-22-13-5-4-11(10-18-13)19-16(21)12-6-9-23-14(12)15-17-7-8-20(15)2/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3,(H,19,21)/t12-,14-/m1/s1
InChIKeyCRIGPXUXHZYCOP-TZMCWYRMSA-N
XLogP1.93
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-N-[(6-methoxy-3-pyridinyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 154796427
(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide
CID 136587113
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1H-pyrazol-4-yl)oxolane-3-carboxamide
CID 128978576
(2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 167941814
6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine
CID 154761375
(2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128989629
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
CID 136583909
(2R,3R)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128970673
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001573
(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128980221

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (CID 167843656) is (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is CCOc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)cn1.
What is the InChIKey of (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is CRIGPXUXHZYCOP-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-22-13-5-4-11(10-18-13)19-16(21)12-6-9-23-14(12)15-17-7-8-20(15)2/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3,(H,19,21)/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 167843656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).