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

C13H20BrN3O — CID 103719046

IUPAC6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H20BrN3O/c1-10(2)17(3)8-4-7-15-13(18)11-5-6-12(14)16-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyJZICTLSJFRCYMH-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.30
Rot. Bonds6

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

6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide (PubChem CID 103719046) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
PubChem CID103719046
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H20BrN3O/c1-10(2)17(3)8-4-7-15-13(18)11-5-6-12(14)16-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyJZICTLSJFRCYMH-UHFFFAOYSA-N
XLogP2.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.30
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

6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 66462506
3-bromo-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 79465134
5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 66463056
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide
CID 107027548
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 103841799

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide (CID 103719046) is 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide is CC(C)N(C)CCCNC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is JZICTLSJFRCYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-10(2)17(3)8-4-7-15-13(18)11-5-6-12(14)16-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18).
What are the key properties of 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide?
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 103719046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).