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

C14H16N4O — CID 104668843

IUPACN-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN)cc2)c(C)nn1
InChIInChI=1S/C14H16N4O/c1-9-7-13(10(2)18-17-9)14(19)16-12-5-3-11(8-15)4-6-12/h3-7H,8,15H2,1-2H3,(H,16,19)
InChIKeyTVLNCPPIGQKLIB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.80
Rot. Bonds3

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

N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104668843) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104668843
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN)cc2)c(C)nn1
InChIInChI=1S/C14H16N4O/c1-9-7-13(10(2)18-17-9)14(19)16-12-5-3-11(8-15)4-6-12/h3-7H,8,15H2,1-2H3,(H,16,19)
InChIKeyTVLNCPPIGQKLIB-UHFFFAOYSA-N
XLogP1.80
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671138
N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668920
N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 106912144
N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669063
N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344575
N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881040
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
2-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669902
3,6-dimethyl-N-(1H-pyrazol-4-yl)pyridazine-4-carboxamide
CID 115875480
N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071
1-[4-(aminomethyl)phenyl]-3-(5,6-dimethyl-1,2,4-triazin-3-yl)urea
CID 114388344
N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
CID 117044896

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104668843) is N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(CN)cc2)c(C)nn1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is TVLNCPPIGQKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-7-13(10(2)18-17-9)14(19)16-12-5-3-11(8-15)4-6-12/h3-7H,8,15H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104668843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).