N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide

C16H20N4O — CID 62167760

IUPACN-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCc2ccccc2)nn1
InChIInChI=1S/C16H20N4O/c1-2-11-17-15-9-8-14(19-20-15)16(21)18-12-10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyMWSPEXTXUMPGHG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.27
Rot. Bonds7

About N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide

N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 62167760) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
PubChem CID62167760
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCc2ccccc2)nn1
InChIInChI=1S/C16H20N4O/c1-2-11-17-15-9-8-14(19-20-15)16(21)18-12-10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyMWSPEXTXUMPGHG-UHFFFAOYSA-N
XLogP2.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 109109114
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121699

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide (CID 62167760) is N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)NCCc2ccccc2)nn1.
What is the InChIKey of N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is MWSPEXTXUMPGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-11-17-15-9-8-14(19-20-15)16(21)18-12-10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide?
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62167760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).