N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide

C16H20N4O — CID 109124848

IUPACN-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)NC(C)(C)C)nn2)c1
InChIInChI=1S/C16H20N4O/c1-11-6-5-7-12(10-11)17-14-9-8-13(19-20-14)15(21)18-16(2,3)4/h5-10H,1-4H3,(H,17,20)(H,18,21)
InChIKeyFBTBSRCILISDSQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds3

About N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide

N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide (PubChem CID 109124848) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
PubChem CID109124848
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)NC(C)(C)C)nn2)c1
InChIInChI=1S/C16H20N4O/c1-11-6-5-7-12(10-11)17-14-9-8-13(19-20-14)15(21)18-16(2,3)4/h5-10H,1-4H3,(H,17,20)(H,18,21)
InChIKeyFBTBSRCILISDSQ-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
N-tert-butyl-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109124849
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109124934
N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide
CID 109124857
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109117580

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide (CID 109124848) is N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide is Cc1cccc(Nc2ccc(C(=O)NC(C)(C)C)nn2)c1.
What is the InChIKey of N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide?
The InChIKey is FBTBSRCILISDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-6-5-7-12(10-11)17-14-9-8-13(19-20-14)15(21)18-16(2,3)4/h5-10H,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide?
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109124848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).