N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide

C18H25N3O2 — CID 123268275

IUPACN-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide
SMILESCN(CCOC1=CC=CCC1C(C)(C)C)C(=O)c1cccnn1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)14-8-5-6-10-16(14)23-13-12-21(4)17(22)15-9-7-11-19-20-15/h5-7,9-11,14H,8,12-13H2,1-4H3
InChIKeyXLXFWCDBISGBBE-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.07
Rot. Bonds5

About N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide

N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide (PubChem CID 123268275) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide
PubChem CID123268275
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide
SMILESCN(CCOC1=CC=CCC1C(C)(C)C)C(=O)c1cccnn1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)14-8-5-6-10-16(14)23-13-12-21(4)17(22)15-9-7-11-19-20-15/h5-7,9-11,14H,8,12-13H2,1-4H3
InChIKeyXLXFWCDBISGBBE-UHFFFAOYSA-N
XLogP3.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide (CID 123268275) is N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide is CN(CCOC1=CC=CCC1C(C)(C)C)C(=O)c1cccnn1.
What is the InChIKey of N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is XLXFWCDBISGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)14-8-5-6-10-16(14)23-13-12-21(4)17(22)15-9-7-11-19-20-15/h5-7,9-11,14H,8,12-13H2,1-4H3.
What are the key properties of N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide?
N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 123268275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).