5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile

C16H16N4 — CID 129244481

IUPAC5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile
SMILESN#Cc1cc(-c2ccnc(N)c2)ccc1N1CCCC1
InChIInChI=1S/C16H16N4/c17-11-14-9-12(13-5-6-19-16(18)10-13)3-4-15(14)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H2,18,19)
InChIKeyLZGIVOBPWBWIQG-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.80
Rot. Bonds2

About 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile

5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile (PubChem CID 129244481) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile
PubChem CID129244481
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile
SMILESN#Cc1cc(-c2ccnc(N)c2)ccc1N1CCCC1
InChIInChI=1S/C16H16N4/c17-11-14-9-12(13-5-6-19-16(18)10-13)3-4-15(14)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H2,18,19)
InChIKeyLZGIVOBPWBWIQG-UHFFFAOYSA-N
XLogP2.80
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile?
The IUPAC name of 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile (CID 129244481) is 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile is N#Cc1cc(-c2ccnc(N)c2)ccc1N1CCCC1.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile?
The InChIKey is LZGIVOBPWBWIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-11-14-9-12(13-5-6-19-16(18)10-13)3-4-15(14)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H2,18,19).
What are the key properties of 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile?
5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile is sourced from PubChem (CID 129244481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).