2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile

C19H26N6 — CID 128996893

IUPAC2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile
SMILESCCN1CCC[C@@H](CN(C)c2ncccc2C#N)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H26N6/c1-4-25-10-6-8-16(18(25)17-12-22-24(3)14-17)13-23(2)19-15(11-20)7-5-9-21-19/h5,7,9,12,14,16,18H,4,6,8,10,13H2,1-3H3/t16-,18+/m0/s1
InChIKeyVPVPRKOWKRGDON-FUHWJXTLSA-N
MW338.46 g/mol
LogP2.60
Rot. Bonds5

About 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile

2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile (PubChem CID 128996893) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile
PubChem CID128996893
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile
SMILESCCN1CCC[C@@H](CN(C)c2ncccc2C#N)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H26N6/c1-4-25-10-6-8-16(18(25)17-12-22-24(3)14-17)13-23(2)19-15(11-20)7-5-9-21-19/h5,7,9,12,14,16,18H,4,6,8,10,13H2,1-3H3/t16-,18+/m0/s1
InChIKeyVPVPRKOWKRGDON-FUHWJXTLSA-N
XLogP2.60
TPSA60.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile (CID 128996893) is 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile is CCN1CCC[C@@H](CN(C)c2ncccc2C#N)[C@@H]1c1cnn(C)c1.
What is the InChIKey of 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile?
The InChIKey is VPVPRKOWKRGDON-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H26N6/c1-4-25-10-6-8-16(18(25)17-12-22-24(3)14-17)13-23(2)19-15(11-20)7-5-9-21-19/h5,7,9,12,14,16,18H,4,6,8,10,13H2,1-3H3/t16-,18+/m0/s1.
What are the key properties of 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile?
2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile has a molecular weight of 338.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 128996893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).