N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide

C27H28N4O5 — CID 118652106

IUPACN-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide
SMILESCC1(C)O[C@@H]2[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)OC[C@]2(CNC(=O)c2ccnnc2)O1
InChIInChI=1S/C27H28N4O5/c1-26(2)35-23-22(34-17-27(23,36-26)16-29-25(33)21-12-13-30-31-14-21)15-28-24(32)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14,22-23H,15-17H2,1-2H3,(H,28,32)(H,29,33)/t22-,23-,27+/m1/s1
InChIKeySWNIKOUNWNSKCN-NOTUOJBMSA-N
MW488.54 g/mol
LogP2.59
Rot. Bonds7

About N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide

N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide (PubChem CID 118652106) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide
PubChem CID118652106
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC NameN-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide
SMILESCC1(C)O[C@@H]2[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)OC[C@]2(CNC(=O)c2ccnnc2)O1
InChIInChI=1S/C27H28N4O5/c1-26(2)35-23-22(34-17-27(23,36-26)16-29-25(33)21-12-13-30-31-14-21)15-28-24(32)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14,22-23H,15-17H2,1-2H3,(H,28,32)(H,29,33)/t22-,23-,27+/m1/s1
InChIKeySWNIKOUNWNSKCN-NOTUOJBMSA-N
XLogP2.59
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-phenylbenzoyl)amino]methyl]oxolan-2-yl]methyl]pyridazine-4-carboxamide
CID 118652064
N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide
CID 118652195
N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
CID 124780735
N-[[(3R,3aR,6aR)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
CID 124780736
N-[[(3aS,6R,6aR)-2,2-dimethyl-3a-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]pyridazine-4-carboxamide
CID 118652018
N-[[(3aS,6R,6aR)-3a-(benzamidomethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]pyridazine-3-carboxamide
CID 118652065
N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide
CID 118652067
N-[[(3aS,6R,6aR)-6-[[(2-chlorobenzoyl)amino]methyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide
CID 118652080
N-[[(3aS,6R,6aR)-6-[[(2-cyanobenzoyl)amino]methyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide
CID 118652109
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide
CID 118652111
N-[[(3aS,6R,6aR)-3a-(benzamidomethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]pyridazine-4-carboxamide
CID 118652177
N-[[(3aS,6R,6aR)-3a-[[(2-chlorobenzoyl)amino]methyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]pyridazine-4-carboxamide
CID 118652185

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide (CID 118652106) is N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide is CC1(C)O[C@@H]2[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)OC[C@]2(CNC(=O)c2ccnnc2)O1.
What is the InChIKey of N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is SWNIKOUNWNSKCN-NOTUOJBMSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-26(2)35-23-22(34-17-27(23,36-26)16-29-25(33)21-12-13-30-31-14-21)15-28-24(32)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14,22-23H,15-17H2,1-2H3,(H,28,32)(H,29,33)/t22-,23-,27+/m1/s1.
What are the key properties of N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide?
N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 118652106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).