[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate

C24H19BrN6O3 — CID 6417635

IUPAC[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate
SMILESNc1ncc(Br)cc1C(=O)OCc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C24H19BrN6O3/c25-17-12-18(22(26)27-13-17)23(32)34-14-16-8-4-5-9-19(16)28-24(33)29-21-11-10-20(30-31-21)15-6-2-1-3-7-15/h1-13H,14H2,(H2,26,27)(H2,28,29,31,33)
InChIKeyCTYKUBYSHNEMSC-UHFFFAOYSA-N
MW519.36 g/mol
LogP4.88
Rot. Bonds6

About [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate

[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate (PubChem CID 6417635) has the molecular formula C24H19BrN6O3 and a molecular weight of 519.36 g/mol. Its IUPAC name is [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate
PubChem CID6417635
Molecular FormulaC24H19BrN6O3
Molecular Weight519.36 g/mol
Exact Mass518.07
IUPAC Name[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate
SMILESNc1ncc(Br)cc1C(=O)OCc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C24H19BrN6O3/c25-17-12-18(22(26)27-13-17)23(32)34-14-16-8-4-5-9-19(16)28-24(33)29-21-11-10-20(30-31-21)15-6-2-1-3-7-15/h1-13H,14H2,(H2,26,27)(H2,28,29,31,33)
InChIKeyCTYKUBYSHNEMSC-UHFFFAOYSA-N
XLogP4.88
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.36
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate 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

[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 3-amino-3-(4-bromophenyl)propanoate
CID 6417637
1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea
CID 6417633
2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide
CID 6417496
2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate
CID 6417616
[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)acetate
CID 6417905
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(3-fluorophenyl)propanoate
CID 6417494
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(4-chlorophenyl)propanoate
CID 6417465
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(2-fluorophenyl)propanoate
CID 6417493
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
ethyl 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]anilino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 6417617
1-[2-[[3-(3-chlorophenoxy)-1,1-dicyanoprop-1-en-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea
CID 6417463

Frequently Asked Questions

What is the IUPAC name of [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate?
The IUPAC name of [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate (CID 6417635) is [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate.
What is the SMILES notation for [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate?
The canonical SMILES for [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate is Nc1ncc(Br)cc1C(=O)OCc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate?
The InChIKey is CTYKUBYSHNEMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN6O3/c25-17-12-18(22(26)27-13-17)23(32)34-14-16-8-4-5-9-19(16)28-24(33)29-21-11-10-20(30-31-21)15-6-2-1-3-7-15/h1-13H,14H2,(H2,26,27)(H2,28,29,31,33).
What are the key properties of [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate?
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate has a molecular weight of 519.36 g/mol, XLogP of 4.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate is sourced from PubChem (CID 6417635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).