4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide

C12H18ClN3O — CID 103811545

IUPAC4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide
SMILESCc1cc(NC(=O)CCC(C)(C)N)cnc1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-6-9(7-15-11(8)13)16-10(17)4-5-12(2,3)14/h6-7H,4-5,14H2,1-3H3,(H,16,17)
InChIKeyFYZRRKCWBLPYRZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.50
Rot. Bonds4

About 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide

4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide (PubChem CID 103811545) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide
PubChem CID103811545
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide
SMILESCc1cc(NC(=O)CCC(C)(C)N)cnc1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-6-9(7-15-11(8)13)16-10(17)4-5-12(2,3)14/h6-7H,4-5,14H2,1-3H3,(H,16,17)
InChIKeyFYZRRKCWBLPYRZ-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
CID 103730445
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide
CID 103730487
N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide
CID 103811529
5-[(6-chloro-5-methyl-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114049207
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-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 65491474
4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
CID 104727177
N-(6-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106741523
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 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide (CID 103811545) is 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide is Cc1cc(NC(=O)CCC(C)(C)N)cnc1Cl.
What is the InChIKey of 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide?
The InChIKey is FYZRRKCWBLPYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-6-9(7-15-11(8)13)16-10(17)4-5-12(2,3)14/h6-7H,4-5,14H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide?
4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide has a molecular weight of 255.75 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide is sourced from PubChem (CID 103811545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).