N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide

C14H21ClN2O — CID 107301300

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C14H21ClN2O/c1-4-6-7-11(5-2)14(18)17-12-8-9-13(15)16-10(12)3/h8-9,11H,4-7H2,1-3H3,(H,17,18)
InChIKeyZCXYZWFVYHUULK-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.20
Rot. Bonds6

About N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide

N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide (PubChem CID 107301300) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide
PubChem CID107301300
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C14H21ClN2O/c1-4-6-7-11(5-2)14(18)17-12-8-9-13(15)16-10(12)3/h8-9,11H,4-7H2,1-3H3,(H,17,18)
InChIKeyZCXYZWFVYHUULK-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide 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

2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
2-ethyl-N-(6-methyl-2-pyridinyl)hexanamide
CID 3528260
N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide
CID 43246745
2-ethyl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393178
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454
N-(2-amino-4-bromophenyl)-2-ethylhexanamide
CID 43130493
N-(3-chloro-2-pyridinyl)-2-ethylhexanamide
CID 103943579
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
CID 40563643
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
4-(2-ethylhexanoylamino)-3-fluorobenzenesulfonyl chloride
CID 43125503

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide (CID 107301300) is N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccc(Cl)nc1C.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide?
The InChIKey is ZCXYZWFVYHUULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-6-7-11(5-2)14(18)17-12-8-9-13(15)16-10(12)3/h8-9,11H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide?
N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide has a molecular weight of 268.79 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide is sourced from PubChem (CID 107301300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).