6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide

C12H18ClN3O — CID 62234225

IUPAC6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-12(2,16(3)4)8-14-11(17)9-6-5-7-10(13)15-9/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyFAJXXPHMTIEXOY-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.80
Rot. Bonds4

About 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide

6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 62234225) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
PubChem CID62234225
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-12(2,16(3)4)8-14-11(17)9-6-5-7-10(13)15-9/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyFAJXXPHMTIEXOY-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]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

N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
CID 115497619
6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107379
2-[[(6-chloropyridine-2-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308451
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 22336276
5-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 81316054
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64570115
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492
6-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 62233322
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide (CID 62234225) is 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide is CN(C)C(C)(C)CNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is FAJXXPHMTIEXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-12(2,16(3)4)8-14-11(17)9-6-5-7-10(13)15-9/h5-7H,8H2,1-4H3,(H,14,17).
What are the key properties of 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide?
6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 62234225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).