5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide

C14H18BrN5O — CID 62184957

IUPAC5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H18BrN5O/c1-4-16-13-11(7-10(15)8-17-13)14(21)19-12-5-6-18-20(12)9(2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,19,21)
InChIKeyPQKBOEODUUJYJM-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.31
Rot. Bonds5

About 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide

5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 62184957) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
PubChem CID62184957
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H18BrN5O/c1-4-16-13-11(7-10(15)8-17-13)14(21)19-12-5-6-18-20(12)9(2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,19,21)
InChIKeyPQKBOEODUUJYJM-UHFFFAOYSA-N
XLogP3.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide (CID 62184957) is 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is PQKBOEODUUJYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-4-16-13-11(7-10(15)8-17-13)14(21)19-12-5-6-18-20(12)9(2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,19,21).
What are the key properties of 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 352.24 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62184957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).