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

C18H24N4O — CID 113047079

IUPACN-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-12(2)17(23)20-16-11-10-15(21-22-16)19-14-9-7-6-8-13(14)18(3,4)5/h6-12H,1-5H3,(H,19,21)(H,20,22,23)
InChIKeyPVVCPFBZSUNNER-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.11
Rot. Bonds4

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

N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide (PubChem CID 113047079) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide
PubChem CID113047079
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-12(2)17(23)20-16-11-10-15(21-22-16)19-14-9-7-6-8-13(14)18(3,4)5/h6-12H,1-5H3,(H,19,21)(H,20,22,23)
InChIKeyPVVCPFBZSUNNER-UHFFFAOYSA-N
XLogP4.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113047094
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912
N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047098
methyl N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]carbamate
CID 113048941
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047657
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110491
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048928

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide (CID 113047079) is N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nn1.
What is the InChIKey of N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide?
The InChIKey is PVVCPFBZSUNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)17(23)20-16-11-10-15(21-22-16)19-14-9-7-6-8-13(14)18(3,4)5/h6-12H,1-5H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide?
N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide has a molecular weight of 312.42 g/mol, XLogP of 4.11, 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]-2-methylpropanamide is sourced from PubChem (CID 113047079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).