N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide

C14H24N4O2 — CID 38593214

IUPACN-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C14H24N4O2/c1-5-18(6-2)12(10(3)4)9-15-14(20)11-7-8-13(19)17-16-11/h7-8,10,12H,5-6,9H2,1-4H3,(H,15,20)(H,17,19)/t12-/m1/s1
InChIKeyRJFFKNJYTDMKTD-GFCCVEGCSA-N
MW280.37 g/mol
LogP0.87
Rot. Bonds7

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

N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 38593214) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID38593214
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C14H24N4O2/c1-5-18(6-2)12(10(3)4)9-15-14(20)11-7-8-13(19)17-16-11/h7-8,10,12H,5-6,9H2,1-4H3,(H,15,20)(H,17,19)/t12-/m1/s1
InChIKeyRJFFKNJYTDMKTD-GFCCVEGCSA-N
XLogP0.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94182994
N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 86984951
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30902992
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
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
CID 119526376
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019850
N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 39113519
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531854
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95967246

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 38593214) is N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide is CCN(CC)[C@H](CNC(=O)c1ccc(=O)[nH]n1)C(C)C.
What is the InChIKey of N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is RJFFKNJYTDMKTD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-18(6-2)12(10(3)4)9-15-14(20)11-7-8-13(19)17-16-11/h7-8,10,12H,5-6,9H2,1-4H3,(H,15,20)(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 38593214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).