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

C14H15N5 — CID 64898548

IUPAC4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1N1CCC(CN)C1
InChIInChI=1S/C14H15N5/c15-7-10-5-6-19(9-10)14-11-3-1-2-4-12(11)17-18-13(14)8-16/h1-4,10H,5-7,9,15H2
InChIKeyBFNUVASVMAMAIA-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.29
Rot. Bonds2

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

4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile (PubChem CID 64898548) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile
PubChem CID64898548
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1N1CCC(CN)C1
InChIInChI=1S/C14H15N5/c15-7-10-5-6-19(9-10)14-11-3-1-2-4-12(11)17-18-13(14)8-16/h1-4,10H,5-7,9,15H2
InChIKeyBFNUVASVMAMAIA-UHFFFAOYSA-N
XLogP1.29
TPSA78.83 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile?
The IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile (CID 64898548) is 4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1N1CCC(CN)C1.
What is the InChIKey of 4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile?
The InChIKey is BFNUVASVMAMAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-7-10-5-6-19(9-10)14-11-3-1-2-4-12(11)17-18-13(14)8-16/h1-4,10H,5-7,9,15H2.
What are the key properties of 4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile?
4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile is sourced from PubChem (CID 64898548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).