2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile

C14H19ClN4 — CID 83074101

IUPAC2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile
SMILESCCCN1CCC(Nc2cc(C#N)cc(Cl)n2)CC1
InChIInChI=1S/C14H19ClN4/c1-2-5-19-6-3-12(4-7-19)17-14-9-11(10-16)8-13(15)18-14/h8-9,12H,2-7H2,1H3,(H,17,18)
InChIKeyJEECVFBYGIEAOJ-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile

2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile (PubChem CID 83074101) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile
PubChem CID83074101
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile
SMILESCCCN1CCC(Nc2cc(C#N)cc(Cl)n2)CC1
InChIInChI=1S/C14H19ClN4/c1-2-5-19-6-3-12(4-7-19)17-14-9-11(10-16)8-13(15)18-14/h8-9,12H,2-7H2,1H3,(H,17,18)
InChIKeyJEECVFBYGIEAOJ-UHFFFAOYSA-N
XLogP2.89
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile (CID 83074101) is 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile is CCCN1CCC(Nc2cc(C#N)cc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile?
The InChIKey is JEECVFBYGIEAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-2-5-19-6-3-12(4-7-19)17-14-9-11(10-16)8-13(15)18-14/h8-9,12H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile has a molecular weight of 278.79 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83074101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).