2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H22N4 — CID 63889340

IUPAC2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(C)CC(CN)Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H22N4/c1-10(2)6-13(9-17)18-15-12(8-16)7-11-4-3-5-14(11)19-15/h7,10,13H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyOPJGURAXYYRIBV-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.23
Rot. Bonds5

About 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 63889340) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID63889340
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(C)CC(CN)Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H22N4/c1-10(2)6-13(9-17)18-15-12(8-16)7-11-4-3-5-14(11)19-15/h7,10,13H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyOPJGURAXYYRIBV-UHFFFAOYSA-N
XLogP2.23
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 63889340) is 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC(C)CC(CN)Nc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is OPJGURAXYYRIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10(2)6-13(9-17)18-15-12(8-16)7-11-4-3-5-14(11)19-15/h7,10,13H,3-6,9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 63889340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).