N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide

C15H16N4O — CID 113038053

IUPACN-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C15H16N4O/c1-10-2-4-11(5-3-10)15(20)17-14-9-8-13(18-19-14)16-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyMTIIDRIREFSQGO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds4

About N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide

N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide (PubChem CID 113038053) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide
PubChem CID113038053
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C15H16N4O/c1-10-2-4-11(5-3-10)15(20)17-14-9-8-13(18-19-14)16-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyMTIIDRIREFSQGO-UHFFFAOYSA-N
XLogP2.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038068
4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038059
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038098
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
CID 113024697
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038054
6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide?
The IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide (CID 113038053) is N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(NC3CC3)nn2)cc1.
What is the InChIKey of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide?
The InChIKey is MTIIDRIREFSQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-2-4-11(5-3-10)15(20)17-14-9-8-13(18-19-14)16-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,16,18)(H,17,19,20).
What are the key properties of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide?
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 113038053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).