5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide

C12H14BrN5O — CID 62176435

IUPAC5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCCn1ccnc1
InChIInChI=1S/C12H14BrN5O/c1-14-11-10(6-9(13)7-17-11)12(19)16-3-5-18-4-2-15-8-18/h2,4,6-8H,3,5H2,1H3,(H,14,17)(H,16,19)
InChIKeyWJXPMDHKONQCFQ-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.51
Rot. Bonds5

About 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62176435) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID62176435
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCCn1ccnc1
InChIInChI=1S/C12H14BrN5O/c1-14-11-10(6-9(13)7-17-11)12(19)16-3-5-18-4-2-15-8-18/h2,4,6-8H,3,5H2,1H3,(H,14,17)(H,16,19)
InChIKeyWJXPMDHKONQCFQ-UHFFFAOYSA-N
XLogP1.51
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
CID 47099001
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide
CID 102705336
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105
5-bromo-3-fluoro-N-(2-imidazol-1-ylethyl)pyridin-2-amine
CID 104923734
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617458

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide (CID 62176435) is 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NCCn1ccnc1.
What is the InChIKey of 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is WJXPMDHKONQCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-14-11-10(6-9(13)7-17-11)12(19)16-3-5-18-4-2-15-8-18/h2,4,6-8H,3,5H2,1H3,(H,14,17)(H,16,19).
What are the key properties of 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62176435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).