5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile

C12H16N4 — CID 69203941

IUPAC5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(N2CCCCCC2N)c1
InChIInChI=1S/C12H16N4/c13-7-10-6-11(9-15-8-10)16-5-3-1-2-4-12(16)14/h6,8-9,12H,1-5,14H2
InChIKeyDNFBPEZOLBBKNP-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.62
Rot. Bonds1

About 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile

5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile (PubChem CID 69203941) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile
PubChem CID69203941
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(N2CCCCCC2N)c1
InChIInChI=1S/C12H16N4/c13-7-10-6-11(9-15-8-10)16-5-3-1-2-4-12(16)14/h6,8-9,12H,1-5,14H2
InChIKeyDNFBPEZOLBBKNP-UHFFFAOYSA-N
XLogP1.62
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile (CID 69203941) is 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile is N#Cc1cncc(N2CCCCCC2N)c1.
What is the InChIKey of 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile?
The InChIKey is DNFBPEZOLBBKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-7-10-6-11(9-15-8-10)16-5-3-1-2-4-12(16)14/h6,8-9,12H,1-5,14H2.
What are the key properties of 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile?
5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 69203941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).