5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide

C16H26ClN3O2 — CID 84584346

IUPAC5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCCC(O)(CCC)CNc1ncc(C(=O)N(C)C)cc1Cl
InChIInChI=1S/C16H26ClN3O2/c1-5-7-16(22,8-6-2)11-19-14-13(17)9-12(10-18-14)15(21)20(3)4/h9-10,22H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyXTCPOBXZUDXQOG-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.18
Rot. Bonds8

About 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide

5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 84584346) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID84584346
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCCC(O)(CCC)CNc1ncc(C(=O)N(C)C)cc1Cl
InChIInChI=1S/C16H26ClN3O2/c1-5-7-16(22,8-6-2)11-19-14-13(17)9-12(10-18-14)15(21)20(3)4/h9-10,22H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyXTCPOBXZUDXQOG-UHFFFAOYSA-N
XLogP3.18
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide (CID 84584346) is 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide is CCCC(O)(CCC)CNc1ncc(C(=O)N(C)C)cc1Cl.
What is the InChIKey of 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is XTCPOBXZUDXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O2/c1-5-7-16(22,8-6-2)11-19-14-13(17)9-12(10-18-14)15(21)20(3)4/h9-10,22H,5-8,11H2,1-4H3,(H,18,19).
What are the key properties of 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide?
5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 327.86 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 84584346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).