(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide

C16H21N5O2 — CID 128985765

IUPAC(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCCc1ncc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)cn1
InChIInChI=1S/C16H21N5O2/c1-3-14-17-9-11(10-18-14)20-16(22)12-5-4-8-23-15(12)13-6-7-19-21(13)2/h6-7,9-10,12,15H,3-5,8H2,1-2H3,(H,20,22)/t12-,15-/m1/s1
InChIKeyDTSIOUPEBGYYCG-IUODEOHRSA-N
MW315.38 g/mol
LogP1.88
Rot. Bonds4

About (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide

(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (PubChem CID 128985765) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
PubChem CID128985765
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCCc1ncc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)cn1
InChIInChI=1S/C16H21N5O2/c1-3-14-17-9-11(10-18-14)20-16(22)12-5-4-8-23-15(12)13-6-7-19-21(13)2/h6-7,9-10,12,15H,3-5,8H2,1-2H3,(H,20,22)/t12-,15-/m1/s1
InChIKeyDTSIOUPEBGYYCG-IUODEOHRSA-N
XLogP1.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001573
(2R,3R)-N-(1-methylpyrazol-4-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 154738421
(2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128987419
(2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128986031
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128975623
(2R,3R)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128984992
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 129000954
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(5-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128966406
[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 128986007
9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993240
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
CID 128970506
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000051

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (CID 128985765) is (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is CCc1ncc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)cn1.
What is the InChIKey of (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The InChIKey is DTSIOUPEBGYYCG-IUODEOHRSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-14-17-9-11(10-18-14)20-16(22)12-5-4-8-23-15(12)13-6-7-19-21(13)2/h6-7,9-10,12,15H,3-5,8H2,1-2H3,(H,20,22)/t12-,15-/m1/s1.
What are the key properties of (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is sourced from PubChem (CID 128985765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).