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

C19H18N4O3 — CID 113049917

IUPACmethyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C19H18N4O3/c1-25-19(24)21-18-12-11-17(22-23-18)20-15-7-9-16(10-8-15)26-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyDQNOIGZWOOFTCA-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.98
Rot. Bonds6

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

methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate (PubChem CID 113049917) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
PubChem CID113049917
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Namemethyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C19H18N4O3/c1-25-19(24)21-18-12-11-17(22-23-18)20-15-7-9-16(10-8-15)26-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyDQNOIGZWOOFTCA-UHFFFAOYSA-N
XLogP3.98
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide
CID 109111692
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 130156889
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113021250
5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392937

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate (CID 113049917) is methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate is COC(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nn1.
What is the InChIKey of methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate?
The InChIKey is DQNOIGZWOOFTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-19(24)21-18-12-11-17(22-23-18)20-15-7-9-16(10-8-15)26-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate?
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate has a molecular weight of 350.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113049917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).