N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide

C17H22N4O — CID 113041159

IUPACN-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(C)c2ccccc2)nn1
InChIInChI=1S/C17H22N4O/c1-3-4-10-17(22)19-16-12-11-15(20-21-16)18-13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyHQXQWQKJCGONTL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.78
Rot. Bonds7

About N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide

N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide (PubChem CID 113041159) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide.

Molecular Properties

Compound NameN-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
PubChem CID113041159
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(C)c2ccccc2)nn1
InChIInChI=1S/C17H22N4O/c1-3-4-10-17(22)19-16-12-11-15(20-21-16)18-13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyHQXQWQKJCGONTL-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026778
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197
N-[6-(2-ethylanilino)pyridazin-3-yl]pentanamide
CID 113046636
N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041166
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113041198
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide?
The IUPAC name of N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide (CID 113041159) is N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide.
What is the SMILES notation for N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide?
The canonical SMILES for N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide is CCCCC(=O)Nc1ccc(NC(C)c2ccccc2)nn1.
What is the InChIKey of N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide?
The InChIKey is HQXQWQKJCGONTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-10-17(22)19-16-12-11-15(20-21-16)18-13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide?
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide has a molecular weight of 298.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide is sourced from PubChem (CID 113041159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).