N-[6-(2-methylanilino)pyridazin-3-yl]propanamide

C14H16N4O — CID 113045581

IUPACN-[6-(2-methylanilino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccccc2C)nn1
InChIInChI=1S/C14H16N4O/c1-3-14(19)16-13-9-8-12(17-18-13)15-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyMGYYRXAJLQFTSB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.88
Rot. Bonds4

About N-[6-(2-methylanilino)pyridazin-3-yl]propanamide

N-[6-(2-methylanilino)pyridazin-3-yl]propanamide (PubChem CID 113045581) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[6-(2-methylanilino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-(2-methylanilino)pyridazin-3-yl]propanamide
PubChem CID113045581
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[6-(2-methylanilino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccccc2C)nn1
InChIInChI=1S/C14H16N4O/c1-3-14(19)16-13-9-8-12(17-18-13)15-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyMGYYRXAJLQFTSB-UHFFFAOYSA-N
XLogP2.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045599
ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123868
N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113045649
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
N-[6-(2-ethylanilino)pyridazin-3-yl]pentanamide
CID 113046636
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
CID 113046269
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylanilino)pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-(2-methylanilino)pyridazin-3-yl]propanamide (CID 113045581) is N-[6-(2-methylanilino)pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-(2-methylanilino)pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-(2-methylanilino)pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(Nc2ccccc2C)nn1.
What is the InChIKey of N-[6-(2-methylanilino)pyridazin-3-yl]propanamide?
The InChIKey is MGYYRXAJLQFTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-14(19)16-13-9-8-12(17-18-13)15-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,15,17)(H,16,18,19).
What are the key properties of N-[6-(2-methylanilino)pyridazin-3-yl]propanamide?
N-[6-(2-methylanilino)pyridazin-3-yl]propanamide has a molecular weight of 256.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylanilino)pyridazin-3-yl]propanamide is sourced from PubChem (CID 113045581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).