2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide

C13H19Cl2N3O — CID 113227307

IUPAC2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-9(2)18(3)8-4-7-16-13(19)10-5-6-11(14)17-12(10)15/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyMJCOINPRGVCDTO-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.85
Rot. Bonds6

About 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide

2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide (PubChem CID 113227307) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
PubChem CID113227307
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-9(2)18(3)8-4-7-16-13(19)10-5-6-11(14)17-12(10)15/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyMJCOINPRGVCDTO-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.85
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'}

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Related Compounds

2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
CID 114127211
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050247
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
CID 106993547
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide (CID 113227307) is 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide is CC(C)N(C)CCCNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is MJCOINPRGVCDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-9(2)18(3)8-4-7-16-13(19)10-5-6-11(14)17-12(10)15/h5-6,9H,4,7-8H2,1-3H3,(H,16,19).
What are the key properties of 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide?
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 304.22 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 113227307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).