N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide

C23H27N5O2 — CID 167404149

IUPACN-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(Nc3ccc(C4CCN(C)CC4)nn3)c2)o1
InChIInChI=1S/C23H27N5O2/c1-16-6-7-20(30-16)15-24-23(29)18-4-3-5-19(14-18)25-22-9-8-21(26-27-22)17-10-12-28(2)13-11-17/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyORUYEWLAWQJMLR-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.86
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide

N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide (PubChem CID 167404149) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide
PubChem CID167404149
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(Nc3ccc(C4CCN(C)CC4)nn3)c2)o1
InChIInChI=1S/C23H27N5O2/c1-16-6-7-20(30-16)15-24-23(29)18-4-3-5-19(14-18)25-22-9-8-21(26-27-22)17-10-12-28(2)13-11-17/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyORUYEWLAWQJMLR-UHFFFAOYSA-N
XLogP3.86
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide with MolForge

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide
CID 164589603
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
3-[[(1E,3Z)-1,4-diamino-4-(oxolan-2-yl)buta-1,3-dienyl]amino]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 165129140
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
N-(4-ethoxyphenyl)-3-[3-[(5-methylfuran-2-yl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334063
N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 165128971
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide
CID 111539779

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide (CID 167404149) is N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide is Cc1ccc(CNC(=O)c2cccc(Nc3ccc(C4CCN(C)CC4)nn3)c2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide?
The InChIKey is ORUYEWLAWQJMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-6-7-20(30-16)15-24-23(29)18-4-3-5-19(14-18)25-22-9-8-21(26-27-22)17-10-12-28(2)13-11-17/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,29)(H,25,27).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide?
N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 167404149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).