3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide

C14H15BrN4O2 — CID 154799222

IUPAC3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1ccncc1Br
InChIInChI=1S/C14H15BrN4O2/c15-12-8-16-3-1-11(12)14(20)17-5-9-2-4-21-13(9)10-6-18-19-7-10/h1,3,6-9,13H,2,4-5H2,(H,17,20)(H,18,19)/t9-,13+/m1/s1
InChIKeySPEBBHLXOFUJEC-RNCFNFMXSA-N
MW351.20 g/mol
LogP2.07
Rot. Bonds4

About 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide

3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 154799222) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide
PubChem CID154799222
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1ccncc1Br
InChIInChI=1S/C14H15BrN4O2/c15-12-8-16-3-1-11(12)14(20)17-5-9-2-4-21-13(9)10-6-18-19-7-10/h1,3,6-9,13H,2,4-5H2,(H,17,20)(H,18,19)/t9-,13+/m1/s1
InChIKeySPEBBHLXOFUJEC-RNCFNFMXSA-N
XLogP2.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide
CID 154801586
2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide
CID 167843966
4-cyclopropyl-2-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidine-5-carboxamide
CID 166246892
3-bromo-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrazole-5-carboxamide
CID 154762230
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144
4,5-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 154762252
5-fluoro-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 136586669
3-fluoro-4-methoxy-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]benzamide
CID 154798360
5,7-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 154762232
5-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 167919876
3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
CID 154794885
8-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]indolizine-2-carboxamide
CID 138024151

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide (CID 154799222) is 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is SPEBBHLXOFUJEC-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c15-12-8-16-3-1-11(12)14(20)17-5-9-2-4-21-13(9)10-6-18-19-7-10/h1,3,6-9,13H,2,4-5H2,(H,17,20)(H,18,19)/t9-,13+/m1/s1.
What are the key properties of 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide?
3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 154799222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).