N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide

C16H20N4O — CID 104668920

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(CN)cc2)c(C)nn1
InChIInChI=1S/C16H20N4O/c1-10-8-15(12(3)20-19-10)16(21)18-11(2)14-6-4-13(9-17)5-7-14/h4-8,11H,9,17H2,1-3H3,(H,18,21)
InChIKeyYMRYKIGFPKWRNE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.04
Rot. Bonds4

About N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide

N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104668920) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104668920
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(CN)cc2)c(C)nn1
InChIInChI=1S/C16H20N4O/c1-10-8-15(12(3)20-19-10)16(21)18-11(2)14-6-4-13(9-17)5-7-14/h4-8,11H,9,17H2,1-3H3,(H,18,21)
InChIKeyYMRYKIGFPKWRNE-UHFFFAOYSA-N
XLogP2.04
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668843
N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104668957
N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide
CID 60919316
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773
N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527
3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
CID 104670537
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61139068
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
CID 60917725
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
CID 62876323
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104668920) is N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NC(C)c2ccc(CN)cc2)c(C)nn1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is YMRYKIGFPKWRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-8-15(12(3)20-19-10)16(21)18-11(2)14-6-4-13(9-17)5-7-14/h4-8,11H,9,17H2,1-3H3,(H,18,21).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104668920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).