N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide

C19H24N4O — CID 113047094

IUPACN-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
SMILESCC(C)(C)c1ccccc1Nc1ccc(NC(=O)C2CCC2)nn1
InChIInChI=1S/C19H24N4O/c1-19(2,3)14-9-4-5-10-15(14)20-16-11-12-17(23-22-16)21-18(24)13-7-6-8-13/h4-5,9-13H,6-8H2,1-3H3,(H,20,22)(H,21,23,24)
InChIKeyWKGUBPCTPNNXOD-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.26
Rot. Bonds4

About N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide

N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide (PubChem CID 113047094) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
PubChem CID113047094
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
SMILESCC(C)(C)c1ccccc1Nc1ccc(NC(=O)C2CCC2)nn1
InChIInChI=1S/C19H24N4O/c1-19(2,3)14-9-4-5-10-15(14)20-16-11-12-17(23-22-16)21-18(24)13-7-6-8-13/h4-5,9-13H,6-8H2,1-3H3,(H,20,22)(H,21,23,24)
InChIKeyWKGUBPCTPNNXOD-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047079
N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113050407
N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997525
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144561
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113046674
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912
N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047098
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide (CID 113047094) is N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide is CC(C)(C)c1ccccc1Nc1ccc(NC(=O)C2CCC2)nn1.
What is the InChIKey of N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide?
The InChIKey is WKGUBPCTPNNXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2,3)14-9-4-5-10-15(14)20-16-11-12-17(23-22-16)21-18(24)13-7-6-8-13/h4-5,9-13H,6-8H2,1-3H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide?
N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide has a molecular weight of 324.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 113047094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).