N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide

C14H24N4O — CID 62178802

IUPACN-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)CC(C)(C)C)nn1
InChIInChI=1S/C14H24N4O/c1-6-9-15-12-8-7-11(16-17-12)13(19)18(5)10-14(2,3)4/h7-8H,6,9-10H2,1-5H3,(H,15,17)
InChIKeyLGQGIIKQJHVLQM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.42
Rot. Bonds5

About N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide

N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 62178802) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
PubChem CID62178802
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)CC(C)(C)C)nn1
InChIInChI=1S/C14H24N4O/c1-6-9-15-12-8-7-11(16-17-12)13(19)18(5)10-14(2,3)4/h7-8H,6,9-10H2,1-5H3,(H,15,17)
InChIKeyLGQGIIKQJHVLQM-UHFFFAOYSA-N
XLogP2.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62169151
N-(2-methoxyethyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
CID 62177414
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-[2-(dimethylamino)-2-methylpropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62177462
N,N-bis(2-methoxyethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62176695
6-[2-(carbamoylamino)ethylamino]-N,N-dimethylpyridazine-3-carboxamide
CID 83114171
6-(ethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 62165114
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-(propylamino)pyridine-2-carboxamide
CID 104641727
N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62179220
N,N-dibutyl-6-(ethylamino)pyridazine-3-carboxamide
CID 62167195
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide (CID 62178802) is N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)N(C)CC(C)(C)C)nn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is LGQGIIKQJHVLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-6-9-15-12-8-7-11(16-17-12)13(19)18(5)10-14(2,3)4/h7-8H,6,9-10H2,1-5H3,(H,15,17).
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide?
N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62178802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).