1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea

C25H22N6O3 — CID 6417633

IUPAC1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea
SMILESNC(=O)Nc1cccc(OCc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C25H22N6O3/c26-24(32)27-19-10-6-11-20(15-19)34-16-18-9-4-5-12-21(18)28-25(33)29-23-14-13-22(30-31-23)17-7-2-1-3-8-17/h1-15H,16H2,(H3,26,27,32)(H2,28,29,31,33)
InChIKeyLZCBFJHASOQHDJ-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.86
Rot. Bonds7

About 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea

1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea (PubChem CID 6417633) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea
PubChem CID6417633
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC Name1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea
SMILESNC(=O)Nc1cccc(OCc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C25H22N6O3/c26-24(32)27-19-10-6-11-20(15-19)34-16-18-9-4-5-12-21(18)28-25(33)29-23-14-13-22(30-31-23)17-7-2-1-3-8-17/h1-15H,16H2,(H3,26,27,32)(H2,28,29,31,33)
InChIKeyLZCBFJHASOQHDJ-UHFFFAOYSA-N
XLogP4.86
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea with MolForge

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Related Compounds

[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate
CID 6417635
1-[2-[[3-(3-chlorophenoxy)-1,1-dicyanoprop-1-en-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea
CID 6417463
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 3-amino-3-(4-bromophenyl)propanoate
CID 6417637
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(3-fluorophenyl)propanoate
CID 6417494
2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide
CID 6417496
2-[[2-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
CID 171062561
1-[2-[(6-amino-1,3-benzoxazol-2-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea
CID 6417653
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(4-methoxyphenyl)propanoate
CID 6417506
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(2-fluorophenyl)propanoate
CID 6417493
1-[2-[[1,1-dicyano-3-(4-nitrophenoxy)prop-1-en-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea
CID 6417528
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea
CID 6417667

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea?
The IUPAC name of 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea (CID 6417633) is 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea.
What is the SMILES notation for 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea?
The canonical SMILES for 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea is NC(=O)Nc1cccc(OCc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)c1.
What is the InChIKey of 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea?
The InChIKey is LZCBFJHASOQHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c26-24(32)27-19-10-6-11-20(15-19)34-16-18-9-4-5-12-21(18)28-25(33)29-23-14-13-22(30-31-23)17-7-2-1-3-8-17/h1-15H,16H2,(H3,26,27,32)(H2,28,29,31,33).
What are the key properties of 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea?
1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea has a molecular weight of 454.49 g/mol, XLogP of 4.86, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea is sourced from PubChem (CID 6417633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).