3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile

C15H14N4 — CID 66980398

IUPAC3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(C3CC3N)cn2)c1
InChIInChI=1S/C15H14N4/c16-8-10-2-1-3-12(6-10)19-15-5-4-11(9-18-15)13-7-14(13)17/h1-6,9,13-14H,7,17H2,(H,18,19)
InChIKeyNNNAUGWPUCLISS-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.51
Rot. Bonds3

About 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile

3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile (PubChem CID 66980398) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile
PubChem CID66980398
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(C3CC3N)cn2)c1
InChIInChI=1S/C15H14N4/c16-8-10-2-1-3-12(6-10)19-15-5-4-11(9-18-15)13-7-14(13)17/h1-6,9,13-14H,7,17H2,(H,18,19)
InChIKeyNNNAUGWPUCLISS-UHFFFAOYSA-N
XLogP2.51
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile (CID 66980398) is 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile is N#Cc1cccc(Nc2ccc(C3CC3N)cn2)c1.
What is the InChIKey of 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile?
The InChIKey is NNNAUGWPUCLISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-8-10-2-1-3-12(6-10)19-15-5-4-11(9-18-15)13-7-14(13)17/h1-6,9,13-14H,7,17H2,(H,18,19).
What are the key properties of 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile?
3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-aminocyclopropyl)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 66980398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).