2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one

C11H16ClN3O — CID 116556739

IUPAC2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one
SMILESCCCCC(N)C(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C11H16ClN3O/c1-2-3-4-9(13)10(16)8-5-7(12)6-15-11(8)14/h5-6,9H,2-4,13H2,1H3,(H2,14,15)
InChIKeyNSQAWJYQDRMFRH-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one

2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one (PubChem CID 116556739) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one
PubChem CID116556739
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one
SMILESCCCCC(N)C(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C11H16ClN3O/c1-2-3-4-9(13)10(16)8-5-7(12)6-15-11(8)14/h5-6,9H,2-4,13H2,1H3,(H2,14,15)
InChIKeyNSQAWJYQDRMFRH-UHFFFAOYSA-N
XLogP2.02
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one?
The IUPAC name of 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one (CID 116556739) is 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one?
The canonical SMILES for 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one is CCCCC(N)C(=O)c1cc(Cl)cnc1N.
What is the InChIKey of 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one?
The InChIKey is NSQAWJYQDRMFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-3-4-9(13)10(16)8-5-7(12)6-15-11(8)14/h5-6,9H,2-4,13H2,1H3,(H2,14,15).
What are the key properties of 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one?
2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one has a molecular weight of 241.72 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one is sourced from PubChem (CID 116556739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).