N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide

C12H20N4O2 — CID 94182994

IUPACN-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)C
InChIInChI=1S/C12H20N4O2/c1-8(2)10(16(3)4)7-13-12(18)9-5-6-11(17)15-14-9/h5-6,8,10H,7H2,1-4H3,(H,13,18)(H,15,17)/t10-/m0/s1
InChIKeyYJQQMAMBGRMEAW-JTQLQIEISA-N
MW252.32 g/mol
LogP0.09
Rot. Bonds5

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

N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 94182994) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID94182994
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)C
InChIInChI=1S/C12H20N4O2/c1-8(2)10(16(3)4)7-13-12(18)9-5-6-11(17)15-14-9/h5-6,8,10H,7H2,1-4H3,(H,13,18)(H,15,17)/t10-/m0/s1
InChIKeyYJQQMAMBGRMEAW-JTQLQIEISA-N
XLogP0.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.09
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-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113230900
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019850
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531854
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
CID 119526376
N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 86984951
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-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95967246
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 37150102
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30902992

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 94182994) is N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide is CC(C)[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YJQQMAMBGRMEAW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)10(16(3)4)7-13-12(18)9-5-6-11(17)15-14-9/h5-6,8,10H,7H2,1-4H3,(H,13,18)(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 94182994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).