6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide

C12H18BrN3O — CID 66464337

IUPAC6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H18BrN3O/c1-9(2)16(3)7-6-14-12(17)10-4-5-11(13)15-8-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)
InChIKeyJMPDXEIMXUSJAU-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.91
Rot. Bonds5

About 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide

6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 66464337) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID66464337
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H18BrN3O/c1-9(2)16(3)7-6-14-12(17)10-4-5-11(13)15-8-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)
InChIKeyJMPDXEIMXUSJAU-UHFFFAOYSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.91
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

6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 66462506
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
3-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113244840
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 114134948
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide (CID 66464337) is 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide is CC(C)N(C)CCNC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is JMPDXEIMXUSJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-9(2)16(3)7-6-14-12(17)10-4-5-11(13)15-8-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,17).
What are the key properties of 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide?
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66464337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).