6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

C13H15BrN4O — CID 66462120

IUPAC6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccc(Br)nc2)cnn1C
InChIInChI=1S/C13H15BrN4O/c1-8(11-7-16-18(3)9(11)2)17-13(19)10-4-5-12(14)15-6-10/h4-8H,1-3H3,(H,17,19)
InChIKeyJVWMITNWFKTURG-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.38
Rot. Bonds3

About 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 66462120) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID66462120
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccc(Br)nc2)cnn1C
InChIInChI=1S/C13H15BrN4O/c1-8(11-7-16-18(3)9(11)2)17-13(19)10-4-5-12(14)15-6-10/h4-8H,1-3H3,(H,17,19)
InChIKeyJVWMITNWFKTURG-UHFFFAOYSA-N
XLogP2.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]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

4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
3-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylbenzamide
CID 104852148
5-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 47027992
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
2-(aminomethyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114325728
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103861052
6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 66463293
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 66463904
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110264435

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (CID 66462120) is 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is Cc1c(C(C)NC(=O)c2ccc(Br)nc2)cnn1C.
What is the InChIKey of 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is JVWMITNWFKTURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-8(11-7-16-18(3)9(11)2)17-13(19)10-4-5-12(14)15-6-10/h4-8H,1-3H3,(H,17,19).
What are the key properties of 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).