N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine

C15H20N4O — CID 154761583

IUPACN-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCc1ncccc1CNC[C@H]1CCO[C@@H]1c1cn[nH]c1
InChIInChI=1S/C15H20N4O/c1-11-12(3-2-5-17-11)7-16-8-13-4-6-20-15(13)14-9-18-19-10-14/h2-3,5,9-10,13,15-16H,4,6-8H2,1H3,(H,18,19)/t13-,15+/m1/s1
InChIKeyXVBKJKBLAHYOGG-HIFRSBDPSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds5

About N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine

N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine (PubChem CID 154761583) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
PubChem CID154761583
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCc1ncccc1CNC[C@H]1CCO[C@@H]1c1cn[nH]c1
InChIInChI=1S/C15H20N4O/c1-11-12(3-2-5-17-11)7-16-8-13-4-6-20-15(13)14-9-18-19-10-14/h2-3,5,9-10,13,15-16H,4,6-8H2,1H3,(H,18,19)/t13-,15+/m1/s1
InChIKeyXVBKJKBLAHYOGG-HIFRSBDPSA-N
XLogP1.98
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(2-fluoro-3-methylphenyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 167790675
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129005157
N-[(4-chloro-2-methylphenyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761589
N-[(3,4-dimethylphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761600
N-[[1-(2-methylphenyl)triazol-4-yl]methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761595
N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 167926332
5-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 167919876
3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine
CID 154761480
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761599
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 154761301
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile
CID 154796204

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine (CID 154761583) is N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine is Cc1ncccc1CNC[C@H]1CCO[C@@H]1c1cn[nH]c1.
What is the InChIKey of N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine?
The InChIKey is XVBKJKBLAHYOGG-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-12(3-2-5-17-11)7-16-8-13-4-6-20-15(13)14-9-18-19-10-14/h2-3,5,9-10,13,15-16H,4,6-8H2,1H3,(H,18,19)/t13-,15+/m1/s1.
What are the key properties of N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine?
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 154761583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).