5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide

C15H25BrN4O — CID 62179231

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C15H25BrN4O/c1-11(2)10-20(7-6-19(4)5)15(21)13-8-12(16)9-18-14(13)17-3/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyIELIJGNHGDQXHF-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.55
Rot. Bonds7

About 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide

5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 62179231) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID62179231
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C15H25BrN4O/c1-11(2)10-20(7-6-19(4)5)15(21)13-8-12(16)9-18-14(13)17-3/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyIELIJGNHGDQXHF-UHFFFAOYSA-N
XLogP2.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62168618
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 79386356
5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980
N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105068956
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 61377482
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
5-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 64518925
5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 63289968

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide (CID 62179231) is 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)N(CCN(C)C)CC(C)C.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is IELIJGNHGDQXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-11(2)10-20(7-6-19(4)5)15(21)13-8-12(16)9-18-14(13)17-3/h8-9,11H,6-7,10H2,1-5H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 357.30 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 62179231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).