N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide

C15H26N4O — CID 109125364

IUPACN-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)N(C)CCCC)nn1
InChIInChI=1S/C15H26N4O/c1-4-6-8-11-16-14-10-9-13(17-18-14)15(20)19(3)12-7-5-2/h9-10H,4-8,11-12H2,1-3H3,(H,16,18)
InChIKeyICPMMDHNMNAZQI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.95
Rot. Bonds9

About N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide

N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide (PubChem CID 109125364) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
PubChem CID109125364
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)N(C)CCCC)nn1
InChIInChI=1S/C15H26N4O/c1-4-6-8-11-16-14-10-9-13(17-18-14)15(20)19(3)12-7-5-2/h9-10H,4-8,11-12H2,1-3H3,(H,16,18)
InChIKeyICPMMDHNMNAZQI-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62169151
N,N-dibutyl-6-(ethylamino)pyridazine-3-carboxamide
CID 62167195
N-(2-methoxyethyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
CID 62177414
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
CID 109125752
N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
CID 62178802
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
CID 109112879
N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide
CID 109125701

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide (CID 109125364) is N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide is CCCCCNc1ccc(C(=O)N(C)CCCC)nn1.
What is the InChIKey of N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide?
The InChIKey is ICPMMDHNMNAZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-6-8-11-16-14-10-9-13(17-18-14)15(20)19(3)12-7-5-2/h9-10H,4-8,11-12H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide?
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).