5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile

C12H13N5 — CID 164632004

IUPAC5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
SMILESC[C@H](Nc1ccc(C#N)nc1)c1ccn(C)n1
InChIInChI=1S/C12H13N5/c1-9(12-5-6-17(2)16-12)15-11-4-3-10(7-13)14-8-11/h3-6,8-9,15H,1-2H3/t9-/m0/s1
InChIKeyJTMMGQIPYZAJSH-VIFPVBQESA-N
MW227.27 g/mol
LogP1.86
Rot. Bonds3

About 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile

5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile (PubChem CID 164632004) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
PubChem CID164632004
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
SMILESC[C@H](Nc1ccc(C#N)nc1)c1ccn(C)n1
InChIInChI=1S/C12H13N5/c1-9(12-5-6-17(2)16-12)15-11-4-3-10(7-13)14-8-11/h3-6,8-9,15H,1-2H3/t9-/m0/s1
InChIKeyJTMMGQIPYZAJSH-VIFPVBQESA-N
XLogP1.86
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile (CID 164632004) is 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile is C[C@H](Nc1ccc(C#N)nc1)c1ccn(C)n1.
What is the InChIKey of 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile?
The InChIKey is JTMMGQIPYZAJSH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N5/c1-9(12-5-6-17(2)16-12)15-11-4-3-10(7-13)14-8-11/h3-6,8-9,15H,1-2H3/t9-/m0/s1.
What are the key properties of 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile?
5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 164632004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).