N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide

C16H19ClN4O — CID 109119900

IUPACN-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H19ClN4O/c1-3-21(4-2)15-10-9-14(19-20-15)16(22)18-11-12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,18,22)
InChIKeyQLINLLQDYSBJDV-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.91
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide (PubChem CID 109119900) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
PubChem CID109119900
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H19ClN4O/c1-3-21(4-2)15-10-9-14(19-20-15)16(22)18-11-12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,18,22)
InChIKeyQLINLLQDYSBJDV-UHFFFAOYSA-N
XLogP2.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-(diethylamino)pyridazine-3-carboxamide
CID 109120436
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119564
N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide
CID 109306052
2-(4-chlorophenyl)-N-[6-(diethylamino)pyridazin-3-yl]acetamide
CID 113043990
N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126163
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 110851460
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048
N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109119955

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide (CID 109119900) is N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide is CCN(CC)c1ccc(C(=O)NCc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide?
The InChIKey is QLINLLQDYSBJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-21(4-2)15-10-9-14(19-20-15)16(22)18-11-12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,18,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109119900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).