N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C17H21ClN4O2 — CID 43019792

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc(=O)[nH]n1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-3-22(4-2)15(12-7-5-6-8-13(12)18)11-19-17(24)14-9-10-16(23)21-20-14/h5-10,15H,3-4,11H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyGVSIPHIKCKFWCP-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.24
Rot. Bonds7

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

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 43019792) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID43019792
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc(=O)[nH]n1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-3-22(4-2)15(12-7-5-6-8-13(12)18)11-19-17(24)14-9-10-16(23)21-20-14/h5-10,15H,3-4,11H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyGVSIPHIKCKFWCP-UHFFFAOYSA-N
XLogP2.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2H-triazole-4-carboxamide
CID 51595080
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide
CID 18288172
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazine-2-carboxamide
CID 30524608
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43005804
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-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 86984951
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019850
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylthiadiazole-5-carboxamide
CID 26834158

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 43019792) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CCN(CC)C(CNC(=O)c1ccc(=O)[nH]n1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GVSIPHIKCKFWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-3-22(4-2)15(12-7-5-6-8-13(12)18)11-19-17(24)14-9-10-16(23)21-20-14/h5-10,15H,3-4,11H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43019792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).