3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide

C13H13BrN4O2 — CID 99839706

IUPAC3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ncccc2Br)nn1
InChIInChI=1S/C13H13BrN4O2/c1-8(2)20-11-6-5-10(17-18-11)16-13(19)12-9(14)4-3-7-15-12/h3-8H,1-2H3,(H,16,17,19)
InChIKeyGYCYGPGZJFXDNX-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.67
Rot. Bonds4

About 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide

3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide (PubChem CID 99839706) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide
PubChem CID99839706
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ncccc2Br)nn1
InChIInChI=1S/C13H13BrN4O2/c1-8(2)20-11-6-5-10(17-18-11)16-13(19)12-9(14)4-3-7-15-12/h3-8H,1-2H3,(H,16,17,19)
InChIKeyGYCYGPGZJFXDNX-UHFFFAOYSA-N
XLogP2.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-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

N-(6-propan-2-yloxypyridazin-3-yl)propanamide
CID 119044052
3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 107518301
3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide
CID 99802209
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide (CID 99839706) is 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2ncccc2Br)nn1.
What is the InChIKey of 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide?
The InChIKey is GYCYGPGZJFXDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-8(2)20-11-6-5-10(17-18-11)16-13(19)12-9(14)4-3-7-15-12/h3-8H,1-2H3,(H,16,17,19).
What are the key properties of 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide?
3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 99839706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).