N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide

C13H22N4O — CID 113038313

IUPACN-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
SMILESCCCCNc1ccc(NC(=O)CC(C)C)nn1
InChIInChI=1S/C13H22N4O/c1-4-5-8-14-11-6-7-12(17-16-11)15-13(18)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,16)(H,15,17,18)
InChIKeyCWKMDFLWKKYHIN-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.67
Rot. Bonds7

About N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide

N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide (PubChem CID 113038313) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
PubChem CID113038313
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
SMILESCCCCNc1ccc(NC(=O)CC(C)C)nn1
InChIInChI=1S/C13H22N4O/c1-4-5-8-14-11-6-7-12(17-16-11)15-13(18)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,16)(H,15,17,18)
InChIKeyCWKMDFLWKKYHIN-UHFFFAOYSA-N
XLogP2.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide
CID 113038178
2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
CID 113044637
N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
CID 113044161
3-methyl-N-[4-(pentylamino)phenyl]butanamide
CID 112985181
N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047111
3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide
CID 113042195
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038324
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide (CID 113038313) is N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide is CCCCNc1ccc(NC(=O)CC(C)C)nn1.
What is the InChIKey of N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide?
The InChIKey is CWKMDFLWKKYHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-8-14-11-6-7-12(17-16-11)15-13(18)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,16)(H,15,17,18).
What are the key properties of N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide?
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide has a molecular weight of 250.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 113038313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).