2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile

C13H15N5 — CID 95759520

IUPAC2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
SMILESC[C@H](Nc1ncccc1C#N)[C@H](C)n1cccn1
InChIInChI=1S/C13H15N5/c1-10(11(2)18-8-4-7-16-18)17-13-12(9-14)5-3-6-15-13/h3-8,10-11H,1-2H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyFZMCAOYPQVRYBN-QWRGUYRKSA-N
MW241.30 g/mol
LogP2.21
Rot. Bonds4

About 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile

2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 95759520) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID95759520
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
SMILESC[C@H](Nc1ncccc1C#N)[C@H](C)n1cccn1
InChIInChI=1S/C13H15N5/c1-10(11(2)18-8-4-7-16-18)17-13-12(9-14)5-3-6-15-13/h3-8,10-11H,1-2H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyFZMCAOYPQVRYBN-QWRGUYRKSA-N
XLogP2.21
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 94800663
2-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 51099693
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 133311512
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile
CID 95292896
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile
CID 95980039
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 47394904
2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
CID 133386763

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile (CID 95759520) is 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile is C[C@H](Nc1ncccc1C#N)[C@H](C)n1cccn1.
What is the InChIKey of 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is FZMCAOYPQVRYBN-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15N5/c1-10(11(2)18-8-4-7-16-18)17-13-12(9-14)5-3-6-15-13/h3-8,10-11H,1-2H3,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile?
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 95759520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).