5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide

C14H22BrN3O2 — CID 81075105

IUPAC5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)N(C)CCOC(C)C
InChIInChI=1S/C14H22BrN3O2/c1-5-16-13-12(8-11(15)9-17-13)14(19)18(4)6-7-20-10(2)3/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyPHRIVERIEMBRDT-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.77
Rot. Bonds7

About 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide

5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide (PubChem CID 81075105) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
PubChem CID81075105
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)N(C)CCOC(C)C
InChIInChI=1S/C14H22BrN3O2/c1-5-16-13-12(8-11(15)9-17-13)14(19)18(4)6-7-20-10(2)3/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyPHRIVERIEMBRDT-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 80709337
5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107201170
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62168618
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709080
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791
5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765396
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 105420299
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide (CID 81075105) is 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)N(C)CCOC(C)C.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The InChIKey is PHRIVERIEMBRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-5-16-13-12(8-11(15)9-17-13)14(19)18(4)6-7-20-10(2)3/h8-10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81075105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).