3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide

C12H16Cl2N2O2 — CID 113225696

IUPAC3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)COCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-8(2)7-18-6-5-15-12(17)11-9(13)3-4-10(14)16-11/h3-4,8H,5-7H2,1-2H3,(H,15,17)
InChIKeyFSCIFFRRWXEJTF-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.79
Rot. Bonds6

About 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide

3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide (PubChem CID 113225696) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
PubChem CID113225696
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)COCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-8(2)7-18-6-5-15-12(17)11-9(13)3-4-10(14)16-11/h3-4,8H,5-7H2,1-2H3,(H,15,17)
InChIKeyFSCIFFRRWXEJTF-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
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'}

Analyze 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide 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

3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
CID 113257998
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate
CID 47123964
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62179799
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
4-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114037038

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide (CID 113225696) is 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide is CC(C)COCCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is FSCIFFRRWXEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-8(2)7-18-6-5-15-12(17)11-9(13)3-4-10(14)16-11/h3-4,8H,5-7H2,1-2H3,(H,15,17).
What are the key properties of 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 113225696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).