methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate

C16H20N4O2 — CID 113047064

IUPACmethyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)nn1
InChIInChI=1S/C16H20N4O2/c1-10(2)12-7-5-6-11(3)15(12)17-13-8-9-14(20-19-13)18-16(21)22-4/h5-10H,1-4H3,(H,17,19)(H,18,20,21)
InChIKeyFZHJPQMHDDWKFA-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.83
Rot. Bonds4

About methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate

methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate (PubChem CID 113047064) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate
PubChem CID113047064
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Namemethyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)nn1
InChIInChI=1S/C16H20N4O2/c1-10(2)12-7-5-6-11(3)15(12)17-13-8-9-14(20-19-13)18-16(21)22-4/h5-10H,1-4H3,(H,17,19)(H,18,20,21)
InChIKeyFZHJPQMHDDWKFA-UHFFFAOYSA-N
XLogP3.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
CID 113036278
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
2-methoxy-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 103029054
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489
5-bromo-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 63463659
5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 66234324
6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115064

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate (CID 113047064) is methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate is COC(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)nn1.
What is the InChIKey of methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate?
The InChIKey is FZHJPQMHDDWKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(2)12-7-5-6-11(3)15(12)17-13-8-9-14(20-19-13)18-16(21)22-4/h5-10H,1-4H3,(H,17,19)(H,18,20,21).
What are the key properties of methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate?
methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate has a molecular weight of 300.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113047064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).