N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide

C15H18N4O — CID 104668983

IUPACN-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(CN)c2)c(C)nn1
InChIInChI=1S/C15H18N4O/c1-10-7-14(11(2)18-17-10)15(20)19(3)13-6-4-5-12(8-13)9-16/h4-8H,9,16H2,1-3H3
InChIKeyYHBUSAVRXVKJBQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.83
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide

N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide (PubChem CID 104668983) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide
PubChem CID104668983
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(CN)c2)c(C)nn1
InChIInChI=1S/C15H18N4O/c1-10-7-14(11(2)18-17-10)15(20)19(3)13-6-4-5-12(8-13)9-16/h4-8H,9,16H2,1-3H3
InChIKeyYHBUSAVRXVKJBQ-UHFFFAOYSA-N
XLogP1.83
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
CID 62970953
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55180371
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide
CID 104668847
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881845
N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668843
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62971832
N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668920

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide (CID 104668983) is N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide is Cc1cc(C(=O)N(C)c2cccc(CN)c2)c(C)nn1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide?
The InChIKey is YHBUSAVRXVKJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-7-14(11(2)18-17-10)15(20)19(3)13-6-4-5-12(8-13)9-16/h4-8H,9,16H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide?
N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N,3,6-trimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104668983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).