methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate

C14H14N4O3 — CID 113049175

IUPACmethyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C14H14N4O3/c1-9(19)10-3-5-11(6-4-10)15-12-7-8-13(18-17-12)16-14(20)21-2/h3-8H,1-2H3,(H,15,17)(H,16,18,20)
InChIKeyDDFABDIZHSJOQT-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.60
Rot. Bonds4

About methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate

methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate (PubChem CID 113049175) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
PubChem CID113049175
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Namemethyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C14H14N4O3/c1-9(19)10-3-5-11(6-4-10)15-12-7-8-13(18-17-12)16-14(20)21-2/h3-8H,1-2H3,(H,15,17)(H,16,18,20)
InChIKeyDDFABDIZHSJOQT-UHFFFAOYSA-N
XLogP2.60
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049129
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122
methyl 4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-3-yl]amino]benzoate
CID 113049504
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113049126
1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
CID 113049173
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate
CID 113050861
methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113048068
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate (CID 113049175) is methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate is COC(=O)Nc1ccc(Nc2ccc(C(C)=O)cc2)nn1.
What is the InChIKey of methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate?
The InChIKey is DDFABDIZHSJOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9(19)10-3-5-11(6-4-10)15-12-7-8-13(18-17-12)16-14(20)21-2/h3-8H,1-2H3,(H,15,17)(H,16,18,20).
What are the key properties of methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate?
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate has a molecular weight of 286.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113049175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).