6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine

C16H20ClN3 — CID 10684888

IUPAC6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1cccc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C16H20ClN3/c1-3-11-20(12-4-2)16-10-6-8-14(19-16)13-7-5-9-15(17)18-13/h5-10H,3-4,11-12H2,1-2H3
InChIKeyGVXIPZXZWWMINX-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.42
Rot. Bonds6

About 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine

6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine (PubChem CID 10684888) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine
PubChem CID10684888
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1cccc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C16H20ClN3/c1-3-11-20(12-4-2)16-10-6-8-14(19-16)13-7-5-9-15(17)18-13/h5-10H,3-4,11-12H2,1-2H3
InChIKeyGVXIPZXZWWMINX-UHFFFAOYSA-N
XLogP4.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine?
The IUPAC name of 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine (CID 10684888) is 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine.
What is the SMILES notation for 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine?
The canonical SMILES for 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine is CCCN(CCC)c1cccc(-c2cccc(Cl)n2)n1.
What is the InChIKey of 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine?
The InChIKey is GVXIPZXZWWMINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-3-11-20(12-4-2)16-10-6-8-14(19-16)13-7-5-9-15(17)18-13/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine?
6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine is sourced from PubChem (CID 10684888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).