2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide

C11H15Cl2N3O — CID 106993396

IUPAC2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(Cl)nc1Cl)N(C)C
InChIInChI=1S/C11H15Cl2N3O/c1-7(16(2)3)6-14-11(17)8-4-5-9(12)15-10(8)13/h4-5,7H,6H2,1-3H3,(H,14,17)
InChIKeyMFIWWFIEIHIALZ-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.07
Rot. Bonds4

About 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide

2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide (PubChem CID 106993396) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
PubChem CID106993396
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(Cl)nc1Cl)N(C)C
InChIInChI=1S/C11H15Cl2N3O/c1-7(16(2)3)6-14-11(17)8-4-5-9(12)15-10(8)13/h4-5,7H,6H2,1-3H3,(H,14,17)
InChIKeyMFIWWFIEIHIALZ-UHFFFAOYSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide
CID 106994116
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
CID 113246368
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
CID 114127211
2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 113228634
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide (CID 106993396) is 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide is CC(CNC(=O)c1ccc(Cl)nc1Cl)N(C)C.
What is the InChIKey of 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is MFIWWFIEIHIALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-7(16(2)3)6-14-11(17)8-4-5-9(12)15-10(8)13/h4-5,7H,6H2,1-3H3,(H,14,17).
What are the key properties of 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide?
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide has a molecular weight of 276.17 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 106993396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).