N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide

C25H27N5O3 — CID 86894741

IUPACN-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN(C)CC1CCCN1c1cccnn1)oc1ccccc12
InChIInChI=1S/C25H27N5O3/c1-29(15-17-7-6-12-30(17)24-10-5-11-26-28-24)16-25(31)27-20-14-22-19(13-23(20)32-2)18-8-3-4-9-21(18)33-22/h3-5,8-11,13-14,17H,6-7,12,15-16H2,1-2H3,(H,27,31)
InChIKeyCIALJXIUSUCOBZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.92
Rot. Bonds7

About N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide

N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide (PubChem CID 86894741) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
PubChem CID86894741
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN(C)CC1CCCN1c1cccnn1)oc1ccccc12
InChIInChI=1S/C25H27N5O3/c1-29(15-17-7-6-12-30(17)24-10-5-11-26-28-24)16-25(31)27-20-14-22-19(13-23(20)32-2)18-8-3-4-9-21(18)33-22/h3-5,8-11,13-14,17H,6-7,12,15-16H2,1-2H3,(H,27,31)
InChIKeyCIALJXIUSUCOBZ-UHFFFAOYSA-N
XLogP3.92
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894652
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide
CID 56802082
2-[[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]amino]-N-phenylbenzamide
CID 86894756
N-cyclopentyl-2-[[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]amino]benzamide
CID 86894738
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2698922
2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95600282
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 86894637
3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120326
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824461
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894593

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide (CID 86894741) is N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide is COc1cc2c(cc1NC(=O)CN(C)CC1CCCN1c1cccnn1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
The InChIKey is CIALJXIUSUCOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-29(15-17-7-6-12-30(17)24-10-5-11-26-28-24)16-25(31)27-20-14-22-19(13-23(20)32-2)18-8-3-4-9-21(18)33-22/h3-5,8-11,13-14,17H,6-7,12,15-16H2,1-2H3,(H,27,31).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 86894741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).