N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride

C16H21ClN4O2 — CID 119526376

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc(=O)[nH]n2)cc1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-10(2)11-3-5-12(6-4-11)13(17)9-18-16(22)14-7-8-15(21)20-19-14;/h3-8,10,13H,9,17H2,1-2H3,(H,18,22)(H,20,21);1H
InChIKeySFXCBMBERLEQAP-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.74
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride (PubChem CID 119526376) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
PubChem CID119526376
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc(=O)[nH]n2)cc1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-10(2)11-3-5-12(6-4-11)13(17)9-18-16(22)14-7-8-15(21)20-19-14;/h3-8,10,13H,9,17H2,1-2H3,(H,18,22)(H,20,21);1H
InChIKeySFXCBMBERLEQAP-UHFFFAOYSA-N
XLogP1.74
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119525872
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 119525632
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94182994
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95967246
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197
N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38593214
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019850
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 119527189
N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113230900

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride (CID 119526376) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)c2ccc(=O)[nH]n2)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride?
The InChIKey is SFXCBMBERLEQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-10(2)11-3-5-12(6-4-11)13(17)9-18-16(22)14-7-8-15(21)20-19-14;/h3-8,10,13H,9,17H2,1-2H3,(H,18,22)(H,20,21);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119526376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).