5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile

C13H15N5 — CID 97119021

IUPAC5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
SMILESC[C@H](CNc1ccc(C#N)nc1)Cn1cccn1
InChIInChI=1S/C13H15N5/c1-11(10-18-6-2-5-17-18)8-15-13-4-3-12(7-14)16-9-13/h2-6,9,11,15H,8,10H2,1H3/t11-/m1/s1
InChIKeyQRRPTQZECTWEOL-LLVKDONJSA-N
MW241.30 g/mol
LogP1.90
Rot. Bonds5

About 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile

5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile (PubChem CID 97119021) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
PubChem CID97119021
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
SMILESC[C@H](CNc1ccc(C#N)nc1)Cn1cccn1
InChIInChI=1S/C13H15N5/c1-11(10-18-6-2-5-17-18)8-15-13-4-3-12(7-14)16-9-13/h2-6,9,11,15H,8,10H2,1H3/t11-/m1/s1
InChIKeyQRRPTQZECTWEOL-LLVKDONJSA-N
XLogP1.90
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 115602607
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 122142016
5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
CID 97119017
5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile
CID 113320580
5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
CID 103736448
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile
CID 133334959
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
2-methyl-N-propan-2-yl-3-pyrazol-1-ylpropan-1-amine
CID 62448113

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile (CID 97119021) is 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile is C[C@H](CNc1ccc(C#N)nc1)Cn1cccn1.
What is the InChIKey of 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile?
The InChIKey is QRRPTQZECTWEOL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N5/c1-11(10-18-6-2-5-17-18)8-15-13-4-3-12(7-14)16-9-13/h2-6,9,11,15H,8,10H2,1H3/t11-/m1/s1.
What are the key properties of 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile?
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 97119021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).