2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide

C15H23ClN2O — CID 113379798

IUPAC2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C15H23ClN2O/c1-4-5-6-7-8-17-15(19)12-9-13(11(2)3)18-14(16)10-12/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyUNINANGURQHGGD-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.17
Rot. Bonds7

About 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 113379798) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
PubChem CID113379798
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C15H23ClN2O/c1-4-5-6-7-8-17-15(19)12-9-13(11(2)3)18-14(16)10-12/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyUNINANGURQHGGD-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
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-(2-methylpentan-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379873
(2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]butanoic acid
CID 114037087
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2-chloro-N-pent-1-yn-3-yl-6-propan-2-ylpyridine-4-carboxamide
CID 106228697

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide (CID 113379798) is 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide is CCCCCCNC(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is UNINANGURQHGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-5-6-7-8-17-15(19)12-9-13(11(2)3)18-14(16)10-12/h9-11H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 282.81 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 113379798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).