4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide

C15H18N4O2 — CID 164630789

IUPAC4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCO[C@@H]2c2ccn[nH]2)cc1C
InChIInChI=1S/C15H18N4O2/c1-9-7-13(16-8-10(9)2)15(20)18-11-4-6-21-14(11)12-3-5-17-19-12/h3,5,7-8,11,14H,4,6H2,1-2H3,(H,17,19)(H,18,20)/t11-,14-/m0/s1
InChIKeyRELLTNIRUFFTRU-FZMZJTMJSA-N
MW286.34 g/mol
LogP1.68
Rot. Bonds3

About 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide

4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide (PubChem CID 164630789) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide
PubChem CID164630789
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCO[C@@H]2c2ccn[nH]2)cc1C
InChIInChI=1S/C15H18N4O2/c1-9-7-13(16-8-10(9)2)15(20)18-11-4-6-21-14(11)12-3-5-17-19-12/h3,5,7-8,11,14H,4,6H2,1-2H3,(H,17,19)(H,18,20)/t11-,14-/m0/s1
InChIKeyRELLTNIRUFFTRU-FZMZJTMJSA-N
XLogP1.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide (CID 164630789) is 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCO[C@@H]2c2ccn[nH]2)cc1C.
What is the InChIKey of 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide?
The InChIKey is RELLTNIRUFFTRU-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-7-13(16-8-10(9)2)15(20)18-11-4-6-21-14(11)12-3-5-17-19-12/h3,5,7-8,11,14H,4,6H2,1-2H3,(H,17,19)(H,18,20)/t11-,14-/m0/s1.
What are the key properties of 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide?
4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 164630789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).