6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride

C19H28ClN5O — CID 154898347

IUPAC6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride
SMILESCCC[C@H]1CN(CCN2CCCC2=O)C[C@@H]1Nc1ccc(C#N)cn1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-2-4-16-13-23(9-10-24-8-3-5-19(24)25)14-17(16)22-18-7-6-15(11-20)12-21-18;/h6-7,12,16-17H,2-5,8-10,13-14H2,1H3,(H,21,22);1H/t16-,17-;/m0./s1
InChIKeyUYPPVZWHGFKRLV-QJHJCNPRSA-N
MW377.92 g/mol
LogP2.51
Rot. Bonds7

About 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride

6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride (PubChem CID 154898347) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride
PubChem CID154898347
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC Name6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride
SMILESCCC[C@H]1CN(CCN2CCCC2=O)C[C@@H]1Nc1ccc(C#N)cn1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-2-4-16-13-23(9-10-24-8-3-5-19(24)25)14-17(16)22-18-7-6-15(11-20)12-21-18;/h6-7,12,16-17H,2-5,8-10,13-14H2,1H3,(H,21,22);1H/t16-,17-;/m0./s1
InChIKeyUYPPVZWHGFKRLV-QJHJCNPRSA-N
XLogP2.51
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride (CID 154898347) is 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride is CCC[C@H]1CN(CCN2CCCC2=O)C[C@@H]1Nc1ccc(C#N)cn1.Cl.
What is the InChIKey of 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride?
The InChIKey is UYPPVZWHGFKRLV-QJHJCNPRSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-2-4-16-13-23(9-10-24-8-3-5-19(24)25)14-17(16)22-18-7-6-15(11-20)12-21-18;/h6-7,12,16-17H,2-5,8-10,13-14H2,1H3,(H,21,22);1H/t16-,17-;/m0./s1.
What are the key properties of 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride?
6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 154898347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).