N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide

C24H24N4O5 — CID 118652067

IUPACN-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccnnc2)[C@@H]1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O5/c29-21-20(33-15-24(21,32)14-26-23(31)19-10-11-27-28-12-19)13-25-22(30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-12,20-21,29,32H,13-15H2,(H,25,30)(H,26,31)/t20-,21-,24+/m1/s1
InChIKeyWTIBTXXQKRZRKM-LGVFNWMJSA-N
MW448.48 g/mol
LogP0.79
Rot. Bonds7

About N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide

N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide (PubChem CID 118652067) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide
PubChem CID118652067
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC NameN-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccnnc2)[C@@H]1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O5/c29-21-20(33-15-24(21,32)14-26-23(31)19-10-11-27-28-12-19)13-25-22(30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-12,20-21,29,32H,13-15H2,(H,25,30)(H,26,31)/t20-,21-,24+/m1/s1
InChIKeyWTIBTXXQKRZRKM-LGVFNWMJSA-N
XLogP0.79
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide (CID 118652067) is N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide is O=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccnnc2)[C@@H]1O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is WTIBTXXQKRZRKM-LGVFNWMJSA-N. The full InChI is InChI=1S/C24H24N4O5/c29-21-20(33-15-24(21,32)14-26-23(31)19-10-11-27-28-12-19)13-25-22(30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-12,20-21,29,32H,13-15H2,(H,25,30)(H,26,31)/t20-,21-,24+/m1/s1.
What are the key properties of N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide?
N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-phenylbenzoyl)amino]methyl]oxolan-3-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 118652067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).