methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate

C20H20N4O2 — CID 66698709

IUPACmethyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cnnc(C(N)Cc3ccccc3)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-20(25)23-17-9-7-15(8-10-17)16-12-19(24-22-13-16)18(21)11-14-5-3-2-4-6-14/h2-10,12-13,18H,11,21H2,1H3,(H,23,25)
InChIKeyIGMBLXBGHGFQFC-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.56
Rot. Bonds5

About methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate

methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate (PubChem CID 66698709) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate
PubChem CID66698709
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namemethyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cnnc(C(N)Cc3ccccc3)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-20(25)23-17-9-7-15(8-10-17)16-12-19(24-22-13-16)18(21)11-14-5-3-2-4-6-14/h2-10,12-13,18H,11,21H2,1H3,(H,23,25)
InChIKeyIGMBLXBGHGFQFC-UHFFFAOYSA-N
XLogP3.56
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[6-[(1S)-1-amino-2-phenylethyl]-3-chloropyridazin-4-yl]phenyl]carbamate
CID 87114207
tert-butyl 3-[4-[6-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]pyridazin-4-yl]anilino]-3-oxopropanoate
CID 66698676
methyl N-[4-[5-(1-amino-2-phenylethyl)-6-oxo-1H-pyridazin-3-yl]phenyl]carbamate
CID 66698589
methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate
CID 69154506
2-[2-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-5-yl]-3-phenylpropanoic acid
CID 118472004
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
CID 53224753
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
methyl N-[4-[[1-(5-bromo-2-pyridinyl)-2-phenylethyl]carbamoyl]phenyl]carbamate
CID 129210060
methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate
CID 118163587
methyl (2S,4R)-4-amino-2-methyl-5-[4-(phenylmethoxycarbonylamino)phenyl]pentanoate
CID 90338257
[(2R)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate
CID 11055239

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate (CID 66698709) is methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate is COC(=O)Nc1ccc(-c2cnnc(C(N)Cc3ccccc3)c2)cc1.
What is the InChIKey of methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate?
The InChIKey is IGMBLXBGHGFQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-20(25)23-17-9-7-15(8-10-17)16-12-19(24-22-13-16)18(21)11-14-5-3-2-4-6-14/h2-10,12-13,18H,11,21H2,1H3,(H,23,25).
What are the key properties of methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate?
methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate has a molecular weight of 348.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate is sourced from PubChem (CID 66698709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).