N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide

C11H16ClN3O — CID 103811529

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C11H16ClN3O/c1-8-6-9(7-14-11(8)12)15-10(16)4-3-5-13-2/h6-7,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyLMNQXDXBSUJTGV-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.98
Rot. Bonds5

About N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide

N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide (PubChem CID 103811529) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide
PubChem CID103811529
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C11H16ClN3O/c1-8-6-9(7-14-11(8)12)15-10(16)4-3-5-13-2/h6-7,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyLMNQXDXBSUJTGV-UHFFFAOYSA-N
XLogP1.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.98
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-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide
CID 103730487
N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide
CID 103730322
N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide
CID 103908930
4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide
CID 103811545
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
CID 103730445
N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 103811557
N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
CID 114250285
5-[(6-chloro-5-methyl-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114049207
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501
N-(6-chloro-5-methyl-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103730378

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide (CID 103811529) is N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide?
The InChIKey is LMNQXDXBSUJTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-6-9(7-14-11(8)12)15-10(16)4-3-5-13-2/h6-7,13H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide?
N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide has a molecular weight of 241.72 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide is sourced from PubChem (CID 103811529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).