2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile

C13H15N5 — CID 95292896

IUPAC2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile
SMILESCc1cnn(C[C@@H](C)Nc2ncccc2C#N)c1
InChIInChI=1S/C13H15N5/c1-10-7-16-18(8-10)9-11(2)17-13-12(6-14)4-3-5-15-13/h3-5,7-8,11H,9H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyFONOQNUGHMGIIK-LLVKDONJSA-N
MW241.30 g/mol
LogP1.96
Rot. Bonds4

About 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile

2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 95292896) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID95292896
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile
SMILESCc1cnn(C[C@@H](C)Nc2ncccc2C#N)c1
InChIInChI=1S/C13H15N5/c1-10-7-16-18(8-10)9-11(2)17-13-12(6-14)4-3-5-15-13/h3-5,7-8,11H,9H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyFONOQNUGHMGIIK-LLVKDONJSA-N
XLogP1.96
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 ≤ 51.96
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-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
CID 133386763
2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 47394904
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
CID 95759520
2-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethylamino]pyridine-3-carbonitrile
CID 42956123
2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile
CID 38744969
N-[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 95297021
2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile
CID 95980039
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361
4-fluoro-3-[[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]methyl]benzonitrile
CID 95295576
(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95608969
2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60967015

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile (CID 95292896) is 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile is Cc1cnn(C[C@@H](C)Nc2ncccc2C#N)c1.
What is the InChIKey of 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is FONOQNUGHMGIIK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N5/c1-10-7-16-18(8-10)9-11(2)17-13-12(6-14)4-3-5-15-13/h3-5,7-8,11H,9H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile?
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 95292896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).