(2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide

C17H22N4O2 — CID 164639070

IUPAC(2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
SMILESCc1ncccc1CCNC(=O)[C@H]1OCC[C@H]1Cn1cccn1
InChIInChI=1S/C17H22N4O2/c1-13-14(4-2-7-18-13)5-9-19-17(22)16-15(6-11-23-16)12-21-10-3-8-20-21/h2-4,7-8,10,15-16H,5-6,9,11-12H2,1H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyHOCVNBOHAYRUAY-HOTGVXAUSA-N
MW314.39 g/mol
LogP1.35
Rot. Bonds6

About (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide

(2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide (PubChem CID 164639070) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
PubChem CID164639070
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
SMILESCc1ncccc1CCNC(=O)[C@H]1OCC[C@H]1Cn1cccn1
InChIInChI=1S/C17H22N4O2/c1-13-14(4-2-7-18-13)5-9-19-17(22)16-15(6-11-23-16)12-21-10-3-8-20-21/h2-4,7-8,10,15-16H,5-6,9,11-12H2,1H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyHOCVNBOHAYRUAY-HOTGVXAUSA-N
XLogP1.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydroisoxazole-5-carboxamide
CID 3245512
US9963443, Reference Example 13
CID 146047738
{4-[1-(3-fluorophenyl)-1H-pyrazol-4-yl]piperidino}(tetrahydro-2-furanyl)methanone
CID 71842283
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxolane-2-carboxamide
CID 72118730
N-{2-[5-cyclopropyl-3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}-2-ethoxyacetamide
CID 72718718
(2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide
CID 127023450
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095979
N-[(2-Phenylpyridin-3-YL)methyl]oxolane-2-carboxamide
CID 53148307
Oxolan-2-yl-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 53165141
2-ethoxy-N-{2-[3-(pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethyl}acetamide
CID 72718459
{4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]piperidino}(tetrahydro-2-furanyl)methanone
CID 83277174
ethyl 4-((2-(5-methyl-3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)amino)-4-oxobutanoate
CID 91629196

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide (CID 164639070) is (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide is Cc1ncccc1CCNC(=O)[C@H]1OCC[C@H]1Cn1cccn1.
What is the InChIKey of (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
The InChIKey is HOCVNBOHAYRUAY-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-14(4-2-7-18-13)5-9-19-17(22)16-15(6-11-23-16)12-21-10-3-8-20-21/h2-4,7-8,10,15-16H,5-6,9,11-12H2,1H3,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
(2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 164639070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).