N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide

C16H20N4O — CID 104671658

IUPACN-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(N)c2ccccc2)c(C)nn1
InChIInChI=1S/C16H20N4O/c1-11-10-14(12(2)20-19-11)16(21)18-9-8-15(17)13-6-4-3-5-7-13/h3-7,10,15H,8-9,17H2,1-2H3,(H,18,21)
InChIKeyUGSXXKLGHUFAIV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.91
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide

N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104671658) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104671658
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(N)c2ccccc2)c(C)nn1
InChIInChI=1S/C16H20N4O/c1-11-10-14(12(2)20-19-11)16(21)18-9-8-15(17)13-6-4-3-5-7-13/h3-7,10,15H,8-9,17H2,1-2H3,(H,18,21)
InChIKeyUGSXXKLGHUFAIV-UHFFFAOYSA-N
XLogP1.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 80505709
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645
N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671379
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 103878997
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671449
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104671658) is N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NCCC(N)c2ccccc2)c(C)nn1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is UGSXXKLGHUFAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-10-14(12(2)20-19-11)16(21)18-9-8-15(17)13-6-4-3-5-7-13/h3-7,10,15H,8-9,17H2,1-2H3,(H,18,21).
What are the key properties of N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104671658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).