N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide

C16H20N4O2 — CID 113038582

IUPACN-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccc(OC)cc2)nn1
InChIInChI=1S/C16H20N4O2/c1-4-11(2)17-14-9-10-15(20-19-14)18-16(21)12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyURWFESDNDFIQPJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.95
Rot. Bonds6

About N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide

N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide (PubChem CID 113038582) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide
PubChem CID113038582
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccc(OC)cc2)nn1
InChIInChI=1S/C16H20N4O2/c1-4-11(2)17-14-9-10-15(20-19-14)18-16(21)12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyURWFESDNDFIQPJ-UHFFFAOYSA-N
XLogP2.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113038583
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide
CID 113038578
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide (CID 113038582) is N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide is CCC(C)Nc1ccc(NC(=O)c2ccc(OC)cc2)nn1.
What is the InChIKey of N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide?
The InChIKey is URWFESDNDFIQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-11(2)17-14-9-10-15(20-19-14)18-16(21)12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide?
N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 113038582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).