5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile

C17H25ClN4 — CID 56684686

IUPAC5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile
SMILESCCC(CC)C(CNc1ncc(C#N)cc1Cl)N1CCCC1
InChIInChI=1S/C17H25ClN4/c1-3-14(4-2)16(22-7-5-6-8-22)12-21-17-15(18)9-13(10-19)11-20-17/h9,11,14,16H,3-8,12H2,1-2H3,(H,20,21)
InChIKeyJNWORBKMWHRGTL-UHFFFAOYSA-N
MW320.87 g/mol
LogP3.92
Rot. Bonds7

About 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile

5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile (PubChem CID 56684686) has the molecular formula C17H25ClN4 and a molecular weight of 320.87 g/mol. Its IUPAC name is 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile
PubChem CID56684686
Molecular FormulaC17H25ClN4
Molecular Weight320.87 g/mol
Exact Mass320.18
IUPAC Name5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile
SMILESCCC(CC)C(CNc1ncc(C#N)cc1Cl)N1CCCC1
InChIInChI=1S/C17H25ClN4/c1-3-14(4-2)16(22-7-5-6-8-22)12-21-17-15(18)9-13(10-19)11-20-17/h9,11,14,16H,3-8,12H2,1-2H3,(H,20,21)
InChIKeyJNWORBKMWHRGTL-UHFFFAOYSA-N
XLogP3.92
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile (CID 56684686) is 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile is CCC(CC)C(CNc1ncc(C#N)cc1Cl)N1CCCC1.
What is the InChIKey of 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile?
The InChIKey is JNWORBKMWHRGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4/c1-3-14(4-2)16(22-7-5-6-8-22)12-21-17-15(18)9-13(10-19)11-20-17/h9,11,14,16H,3-8,12H2,1-2H3,(H,20,21).
What are the key properties of 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile?
5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile has a molecular weight of 320.87 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-ethyl-2-pyrrolidin-1-ylpentyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 56684686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).