2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile

C13H17ClN4 — CID 83073110

IUPAC2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)C1CCN(c2cc(C#N)cc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4/c1-17(2)11-3-5-18(6-4-11)13-8-10(9-15)7-12(14)16-13/h7-8,11H,3-6H2,1-2H3
InChIKeySUUZIWTVXNMSHR-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.14
Rot. Bonds2

About 2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile

2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 83073110) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID83073110
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)C1CCN(c2cc(C#N)cc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4/c1-17(2)11-3-5-18(6-4-11)13-8-10(9-15)7-12(14)16-13/h7-8,11H,3-6H2,1-2H3
InChIKeySUUZIWTVXNMSHR-UHFFFAOYSA-N
XLogP2.14
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.14
H-Bond Donors ≤ 50
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-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile (CID 83073110) is 2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile is CN(C)C1CCN(c2cc(C#N)cc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is SUUZIWTVXNMSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17(2)11-3-5-18(6-4-11)13-8-10(9-15)7-12(14)16-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile?
2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 83073110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).