4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile

C14H15N5 — CID 115300825

IUPAC4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile
SMILESCNC1CCN(c2c(C#N)nnc3ccccc23)C1
InChIInChI=1S/C14H15N5/c1-16-10-6-7-19(9-10)14-11-4-2-3-5-12(11)17-18-13(14)8-15/h2-5,10,16H,6-7,9H2,1H3
InChIKeyDCNNSVXPZZAYBG-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.30
Rot. Bonds2

About 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile

4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile (PubChem CID 115300825) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile
PubChem CID115300825
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile
SMILESCNC1CCN(c2c(C#N)nnc3ccccc23)C1
InChIInChI=1S/C14H15N5/c1-16-10-6-7-19(9-10)14-11-4-2-3-5-12(11)17-18-13(14)8-15/h2-5,10,16H,6-7,9H2,1H3
InChIKeyDCNNSVXPZZAYBG-UHFFFAOYSA-N
XLogP1.30
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile?
The IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile (CID 115300825) is 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile is CNC1CCN(c2c(C#N)nnc3ccccc23)C1.
What is the InChIKey of 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile?
The InChIKey is DCNNSVXPZZAYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-16-10-6-7-19(9-10)14-11-4-2-3-5-12(11)17-18-13(14)8-15/h2-5,10,16H,6-7,9H2,1H3.
What are the key properties of 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile?
4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile is sourced from PubChem (CID 115300825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).