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

C12H16ClN3O2 — CID 104955488

IUPACN-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCCC(N)=O)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-8-6-9(7-10(13)16-8)12(18)15-5-3-2-4-11(14)17/h6-7H,2-5H2,1H3,(H2,14,17)(H,15,18)
InChIKeyUVXWGPRKXFTGAO-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.43
Rot. Bonds6

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

N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide (PubChem CID 104955488) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
PubChem CID104955488
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCCC(N)=O)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-8-6-9(7-10(13)16-8)12(18)15-5-3-2-4-11(14)17/h6-7H,2-5H2,1H3,(H2,14,17)(H,15,18)
InChIKeyUVXWGPRKXFTGAO-UHFFFAOYSA-N
XLogP1.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.43
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-ethylpyridine-4-carboxamide
CID 106235383
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-methylpyridine-4-carboxamide
CID 104954990
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104952518
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide (CID 104955488) is N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCCCCC(N)=O)cc(Cl)n1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide?
The InChIKey is UVXWGPRKXFTGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8-6-9(7-10(13)16-8)12(18)15-5-3-2-4-11(14)17/h6-7H,2-5H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide?
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.43, 6 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-methylpyridine-4-carboxamide is sourced from PubChem (CID 104955488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).