N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide

C17H22N4O3 — CID 131693376

IUPACN-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
SMILESCC1CC1C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccnnc3)CO[C@@H]2C1
InChIInChI=1S/C17H22N4O3/c1-10-4-13(10)17(23)21-7-14-12(9-24-15(14)8-21)5-18-16(22)11-2-3-19-20-6-11/h2-3,6,10,12-15H,4-5,7-9H2,1H3,(H,18,22)/t10?,12-,13?,14-,15-/m1/s1
InChIKeyBFSRWXIIGBFUIU-OKIKLDAISA-N
MW330.39 g/mol
LogP0.34
Rot. Bonds4

About N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide

N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide (PubChem CID 131693376) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
PubChem CID131693376
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
SMILESCC1CC1C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccnnc3)CO[C@@H]2C1
InChIInChI=1S/C17H22N4O3/c1-10-4-13(10)17(23)21-7-14-12(9-24-15(14)8-21)5-18-16(22)11-2-3-19-20-6-11/h2-3,6,10,12-15H,4-5,7-9H2,1H3,(H,18,22)/t10?,12-,13?,14-,15-/m1/s1
InChIKeyBFSRWXIIGBFUIU-OKIKLDAISA-N
XLogP0.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3R,3aR,6aR)-5-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
CID 124780929
N-[[(3R,3aS,6aS)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
CID 124780287
N-[[(3S,3aS,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 124809118
N-[[(3S,3aS,6aS)-5-(3-methylbutanoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155862057
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
N-[[(3R,3aR,6aR)-5-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 124780448
N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155863921
N-[[(3S,3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 124806228
N-[[(3R,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 133142810
N-[[(3S,3aS,6aS)-5-(1-fluorocyclobutanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155859357
N-[[(3R,3aR,6aR)-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 124780776
N-[[(3R,3aS,6aS)-5-(3-methyl-1-benzofuran-2-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155860235

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide (CID 131693376) is N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide is CC1CC1C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccnnc3)CO[C@@H]2C1.
What is the InChIKey of N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is BFSRWXIIGBFUIU-OKIKLDAISA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-4-13(10)17(23)21-7-14-12(9-24-15(14)8-21)5-18-16(22)11-2-3-19-20-6-11/h2-3,6,10,12-15H,4-5,7-9H2,1H3,(H,18,22)/t10?,12-,13?,14-,15-/m1/s1.
What are the key properties of N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide?
N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131693376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).