3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile

C15H22N4 — CID 82812738

IUPAC3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile
SMILESCCCC1CCCN(c2nccc(C#N)c2N)CC1
InChIInChI=1S/C15H22N4/c1-2-4-12-5-3-9-19(10-7-12)15-14(17)13(11-16)6-8-18-15/h6,8,12H,2-5,7,9-10,17H2,1H3
InChIKeyBMZNBNJEXAGRIE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.94
Rot. Bonds3

About 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile

3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile (PubChem CID 82812738) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile
PubChem CID82812738
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile
SMILESCCCC1CCCN(c2nccc(C#N)c2N)CC1
InChIInChI=1S/C15H22N4/c1-2-4-12-5-3-9-19(10-7-12)15-14(17)13(11-16)6-8-18-15/h6,8,12H,2-5,7,9-10,17H2,1H3
InChIKeyBMZNBNJEXAGRIE-UHFFFAOYSA-N
XLogP2.94
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile (CID 82812738) is 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile is CCCC1CCCN(c2nccc(C#N)c2N)CC1.
What is the InChIKey of 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile?
The InChIKey is BMZNBNJEXAGRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-4-12-5-3-9-19(10-7-12)15-14(17)13(11-16)6-8-18-15/h6,8,12H,2-5,7,9-10,17H2,1H3.
What are the key properties of 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile?
3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 82812738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).