N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide

C13H18ClN3O2 — CID 106235383

IUPACN-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCCCCC(N)=O)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-2-10-7-9(8-11(14)17-10)13(19)16-6-4-3-5-12(15)18/h7-8H,2-6H2,1H3,(H2,15,18)(H,16,19)
InChIKeyUBHHVJQKSGWULE-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.68
Rot. Bonds7

About N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide

N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide (PubChem CID 106235383) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
PubChem CID106235383
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCCCCC(N)=O)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-2-10-7-9(8-11(14)17-10)13(19)16-6-4-3-5-12(15)18/h7-8H,2-6H2,1H3,(H2,15,18)(H,16,19)
InChIKeyUBHHVJQKSGWULE-UHFFFAOYSA-N
XLogP1.68
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.68
H-Bond Donors ≤ 52
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

N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106276058
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 114175102
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
CID 107856458
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 113379883
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide (CID 106235383) is N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide is CCc1cc(C(=O)NCCCCC(N)=O)cc(Cl)n1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide?
The InChIKey is UBHHVJQKSGWULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-10-7-9(8-11(14)17-10)13(19)16-6-4-3-5-12(15)18/h7-8H,2-6H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide?
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide is sourced from PubChem (CID 106235383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).