2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide

C16H26ClN3O — CID 106033397

IUPAC2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN(C)C(C)C)cc(Cl)n1
InChIInChI=1S/C16H26ClN3O/c1-11(2)14-9-13(10-15(17)19-14)16(21)18-7-6-8-20(5)12(3)4/h9-12H,6-8H2,1-5H3,(H,18,21)
InChIKeySNOGIHBUKAGVPI-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.32
Rot. Bonds7

About 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 106033397) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
PubChem CID106033397
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN(C)C(C)C)cc(Cl)n1
InChIInChI=1S/C16H26ClN3O/c1-11(2)14-9-13(10-15(17)19-14)16(21)18-7-6-8-20(5)12(3)4/h9-12H,6-8H2,1-5H3,(H,18,21)
InChIKeySNOGIHBUKAGVPI-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379798
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide
CID 84580910
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379837
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033510
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908
2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide (CID 106033397) is 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide is CC(C)c1cc(C(=O)NCCCN(C)C(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is SNOGIHBUKAGVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-11(2)14-9-13(10-15(17)19-14)16(21)18-7-6-8-20(5)12(3)4/h9-12H,6-8H2,1-5H3,(H,18,21).
What are the key properties of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 106033397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).