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

C18H17N5O — CID 113041198

IUPACN-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2cccnc2)nn1)c1ccccc1
InChIInChI=1S/C18H17N5O/c1-13(14-6-3-2-4-7-14)20-16-9-10-17(23-22-16)21-18(24)15-8-5-11-19-12-15/h2-13H,1H3,(H,20,22)(H,21,23,24)
InChIKeyZMUHXKNWYOFMTH-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.30
Rot. Bonds5

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

N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113041198) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113041198
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2cccnc2)nn1)c1ccccc1
InChIInChI=1S/C18H17N5O/c1-13(14-6-3-2-4-7-14)20-16-9-10-17(23-22-16)21-18(24)15-8-5-11-19-12-15/h2-13H,1H3,(H,20,22)(H,21,23,24)
InChIKeyZMUHXKNWYOFMTH-UHFFFAOYSA-N
XLogP3.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041180
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041166
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046442
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
CID 113041159
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide (CID 113041198) is N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide is CC(Nc1ccc(NC(=O)c2cccnc2)nn1)c1ccccc1.
What is the InChIKey of N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is ZMUHXKNWYOFMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13(14-6-3-2-4-7-14)20-16-9-10-17(23-22-16)21-18(24)15-8-5-11-19-12-15/h2-13H,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113041198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).