5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide

C14H22BrN3O — CID 62168618

IUPAC5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)N(CC)CC(C)C
InChIInChI=1S/C14H22BrN3O/c1-5-16-13-12(7-11(15)8-17-13)14(19)18(6-2)9-10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyNCTZDZCWADNXHM-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.39
Rot. Bonds6

About 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide

5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 62168618) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID62168618
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)N(CC)CC(C)C
InChIInChI=1S/C14H22BrN3O/c1-5-16-13-12(7-11(15)8-17-13)14(19)18(6-2)9-10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyNCTZDZCWADNXHM-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62179231
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81075105
5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179962
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 79386356
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107201170
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487064
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 55041522
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide (CID 62168618) is 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)N(CC)CC(C)C.
What is the InChIKey of 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is NCTZDZCWADNXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-5-16-13-12(7-11(15)8-17-13)14(19)18(6-2)9-10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 62168618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).