3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile

C13H17ClN4 — CID 107058127

IUPAC3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
SMILESCC(CNc1nccc(C#N)c1Cl)N1CCCC1
InChIInChI=1S/C13H17ClN4/c1-10(18-6-2-3-7-18)9-17-13-12(14)11(8-15)4-5-16-13/h4-5,10H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyZRAMCFDRRNCKQR-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.50
Rot. Bonds4

About 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile

3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile (PubChem CID 107058127) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
PubChem CID107058127
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
SMILESCC(CNc1nccc(C#N)c1Cl)N1CCCC1
InChIInChI=1S/C13H17ClN4/c1-10(18-6-2-3-7-18)9-17-13-12(14)11(8-15)4-5-16-13/h4-5,10H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyZRAMCFDRRNCKQR-UHFFFAOYSA-N
XLogP2.50
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile (CID 107058127) is 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile is CC(CNc1nccc(C#N)c1Cl)N1CCCC1.
What is the InChIKey of 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile?
The InChIKey is ZRAMCFDRRNCKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-10(18-6-2-3-7-18)9-17-13-12(14)11(8-15)4-5-16-13/h4-5,10H,2-3,6-7,9H2,1H3,(H,16,17).
What are the key properties of 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile?
3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 107058127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).