(2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide

C16H17N5O2 — CID 129003975

IUPAC(2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc(C#N)cn2)cnn1C
InChIInChI=1S/C16H17N5O2/c1-10-13(9-19-21(10)2)15-12(5-6-23-15)16(22)20-14-4-3-11(7-17)8-18-14/h3-4,8-9,12,15H,5-6H2,1-2H3,(H,18,20,22)/t12-,15-/m0/s1
InChIKeyHJUYFKPKXZQBDC-WFASDCNBSA-N
MW311.35 g/mol
LogP1.71
Rot. Bonds3

About (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 129003975) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID129003975
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name(2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc(C#N)cn2)cnn1C
InChIInChI=1S/C16H17N5O2/c1-10-13(9-19-21(10)2)15-12(5-6-23-15)16(22)20-14-4-3-11(7-17)8-18-14/h3-4,8-9,12,15H,5-6H2,1-2H3,(H,18,20,22)/t12-,15-/m0/s1
InChIKeyHJUYFKPKXZQBDC-WFASDCNBSA-N
XLogP1.71
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
CID 128973434
N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide
CID 114105635
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide
CID 128995898
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide
CID 129472390
6-[[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 154756720
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 129473071
(2S,3S)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966483
N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide
CID 62805806
2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone
CID 129003480
N-(5-cyano-2-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 56826266
(2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966683
1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968592

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide (CID 129003975) is (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide is Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc(C#N)cn2)cnn1C.
What is the InChIKey of (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is HJUYFKPKXZQBDC-WFASDCNBSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-13(9-19-21(10)2)15-12(5-6-23-15)16(22)20-14-4-3-11(7-17)8-18-14/h3-4,8-9,12,15H,5-6H2,1-2H3,(H,18,20,22)/t12-,15-/m0/s1.
What are the key properties of (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129003975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).