N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide

C15H26N4O2 — CID 86984951

IUPACN-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc(=O)[nH]n1)CC(C)C
InChIInChI=1S/C15H26N4O2/c1-5-19(6-2)12(9-11(3)4)10-16-15(21)13-7-8-14(20)18-17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,16,21)(H,18,20)
InChIKeyJIYMJMPXDXDIME-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.26
Rot. Bonds8

About N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 86984951) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID86984951
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc(=O)[nH]n1)CC(C)C
InChIInChI=1S/C15H26N4O2/c1-5-19(6-2)12(9-11(3)4)10-16-15(21)13-7-8-14(20)18-17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,16,21)(H,18,20)
InChIKeyJIYMJMPXDXDIME-UHFFFAOYSA-N
XLogP1.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38593214
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30902992
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94182994
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792
N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113230900
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019850
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
CID 119526376
N-[2-(diethylamino)-4-methylpentyl]furan-2-carboxamide
CID 86984929
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531854
N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841
2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120641176

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 86984951) is N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide is CCN(CC)C(CNC(=O)c1ccc(=O)[nH]n1)CC(C)C.
What is the InChIKey of N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JIYMJMPXDXDIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-19(6-2)12(9-11(3)4)10-16-15(21)13-7-8-14(20)18-17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,16,21)(H,18,20).
What are the key properties of N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 86984951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).