2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile

C15H17N5O — CID 154796204

IUPAC2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@@H]1CCCO[C@H]1c1cn[nH]c1
InChIInChI=1S/C15H17N5O/c16-7-11-3-1-5-17-15(11)18-8-12-4-2-6-21-14(12)13-9-19-20-10-13/h1,3,5,9-10,12,14H,2,4,6,8H2,(H,17,18)(H,19,20)/t12-,14+/m0/s1
InChIKeyVDSLIAPORVCVFQ-GXTWGEPZSA-N
MW283.33 g/mol
LogP2.26
Rot. Bonds4

About 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile

2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 154796204) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID154796204
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@@H]1CCCO[C@H]1c1cn[nH]c1
InChIInChI=1S/C15H17N5O/c16-7-11-3-1-5-17-15(11)18-8-12-4-2-6-21-14(12)13-9-19-20-10-13/h1,3,5,9-10,12,14H,2,4,6,8H2,(H,17,18)(H,19,20)/t12-,14+/m0/s1
InChIKeyVDSLIAPORVCVFQ-GXTWGEPZSA-N
XLogP2.26
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine
CID 154761480
4-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]quinoline-3-carbonitrile
CID 154761477
5-nitro-2-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carbonitrile
CID 129488556
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761583
5-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 167919876
2-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 115625296
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761599
N-[(3,4-dimethylphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761600
6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile
CID 154761469
6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 167950849
4-[[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methylamino]quinoline-3-carbonitrile
CID 167894156
3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
CID 154794885

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile (CID 154796204) is 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NC[C@@H]1CCCO[C@H]1c1cn[nH]c1.
What is the InChIKey of 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is VDSLIAPORVCVFQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H17N5O/c16-7-11-3-1-5-17-15(11)18-8-12-4-2-6-21-14(12)13-9-19-20-10-13/h1,3,5,9-10,12,14H,2,4,6,8H2,(H,17,18)(H,19,20)/t12-,14+/m0/s1.
What are the key properties of 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile?
2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 154796204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).