N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide

C20H28N4O — CID 109125175

IUPACN-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C20H28N4O/c1-14(2)12-13-21-18-11-10-17(23-24-18)19(25)22-16-9-7-6-8-15(16)20(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyMKVUBJLVPRRGNS-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.48
Rot. Bonds6

About N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide

N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (PubChem CID 109125175) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
PubChem CID109125175
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C20H28N4O/c1-14(2)12-13-21-18-11-10-17(23-24-18)19(25)22-16-9-7-6-8-15(16)20(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyMKVUBJLVPRRGNS-UHFFFAOYSA-N
XLogP4.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125242
N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109114208
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125237
N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107643067

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (CID 109125175) is N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2ccccc2C(C)(C)C)nn1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The InChIKey is MKVUBJLVPRRGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)12-13-21-18-11-10-17(23-24-18)19(25)22-16-9-7-6-8-15(16)20(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).