5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide

C13H19BrClN3O — CID 62000473

IUPAC5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H19BrClN3O/c1-8(2)11(7-18(3)4)17-13(19)10-5-9(14)6-16-12(10)15/h5-6,8,11H,7H2,1-4H3,(H,17,19)
InChIKeyHLBJTUUMTSOGMR-UHFFFAOYSA-N
MW348.67 g/mol
LogP2.81
Rot. Bonds5

About 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide (PubChem CID 62000473) has the molecular formula C13H19BrClN3O and a molecular weight of 348.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
PubChem CID62000473
Molecular FormulaC13H19BrClN3O
Molecular Weight348.67 g/mol
Exact Mass347.04
IUPAC Name5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H19BrClN3O/c1-8(2)11(7-18(3)4)17-13(19)10-5-9(14)6-16-12(10)15/h5-6,8,11H,7H2,1-4H3,(H,17,19)
InChIKeyHLBJTUUMTSOGMR-UHFFFAOYSA-N
XLogP2.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 52.81
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-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62159754
2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 61479880
(2S,3R)-2-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037234
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 103919732
5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62334858
5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 62000661
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791
2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
CID 103892256
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide (CID 62000473) is 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide is CC(C)C(CN(C)C)NC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide?
The InChIKey is HLBJTUUMTSOGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN3O/c1-8(2)11(7-18(3)4)17-13(19)10-5-9(14)6-16-12(10)15/h5-6,8,11H,7H2,1-4H3,(H,17,19).
What are the key properties of 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide has a molecular weight of 348.67 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 62000473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).