(2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide

C16H18N4O2 — CID 126810137

IUPAC(2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide
SMILESO=C(Nc1ncc(C2CC2)[nH]1)[C@H]1CCO[C@@H]1c1cccnc1
InChIInChI=1S/C16H18N4O2/c21-15(20-16-18-9-13(19-16)10-3-4-10)12-5-7-22-14(12)11-2-1-6-17-8-11/h1-2,6,8-10,12,14H,3-5,7H2,(H2,18,19,20,21)/t12-,14+/m0/s1
InChIKeyPSESRZMFVSOKFK-GXTWGEPZSA-N
MW298.35 g/mol
LogP2.40
Rot. Bonds4

About (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide

(2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide (PubChem CID 126810137) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide
PubChem CID126810137
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide
SMILESO=C(Nc1ncc(C2CC2)[nH]1)[C@H]1CCO[C@@H]1c1cccnc1
InChIInChI=1S/C16H18N4O2/c21-15(20-16-18-9-13(19-16)10-3-4-10)12-5-7-22-14(12)11-2-1-6-17-8-11/h1-2,6,8-10,12,14H,3-5,7H2,(H2,18,19,20,21)/t12-,14+/m0/s1
InChIKeyPSESRZMFVSOKFK-GXTWGEPZSA-N
XLogP2.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-3-yloxolane-3-carboxamide
CID 167769258
(2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 126804864
(2S,3S)-N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-2-pyridin-3-yloxolane-3-carboxamide
CID 136587140
N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide
CID 127265241
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858
1-ethyl-5-oxo-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]pyrrolidine-3-carboxamide
CID 154793571
(2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide
CID 129347009
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
2-phenyloxolane-3-carbohydrazide
CID 122235516
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea
CID 136584166
(2R,3R)-N-(2,3-dihydro-1H-indol-4-yl)-2-phenyloxolane-3-carboxamide
CID 138030908
(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128995869

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide (CID 126810137) is (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide is O=C(Nc1ncc(C2CC2)[nH]1)[C@H]1CCO[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide?
The InChIKey is PSESRZMFVSOKFK-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15(20-16-18-9-13(19-16)10-3-4-10)12-5-7-22-14(12)11-2-1-6-17-8-11/h1-2,6,8-10,12,14H,3-5,7H2,(H2,18,19,20,21)/t12-,14+/m0/s1.
What are the key properties of (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide?
(2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide is sourced from PubChem (CID 126810137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).