5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide

C12H14BrN5O — CID 65236814

IUPAC5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H14BrN5O/c1-14-11-10(4-8(13)5-17-11)12(19)16-3-2-9-6-15-7-18-9/h4-7H,2-3H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyLLMWOJMCQMDLMM-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.58
Rot. Bonds5

About 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide (PubChem CID 65236814) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
PubChem CID65236814
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H14BrN5O/c1-14-11-10(4-8(13)5-17-11)12(19)16-3-2-9-6-15-7-18-9/h4-7H,2-3H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyLLMWOJMCQMDLMM-UHFFFAOYSA-N
XLogP1.58
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 65236933
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 23404169
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
3-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzamide
CID 104852790
5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62176435
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105
3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 65236987
2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide
CID 114035047
5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62166425
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide (CID 65236814) is 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is LLMWOJMCQMDLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-14-11-10(4-8(13)5-17-11)12(19)16-3-2-9-6-15-7-18-9/h4-7H,2-3H2,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 65236814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).