N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide

C18H20N4O5 — CID 118652111

IUPACN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)c1ccnnc1
InChIInChI=1S/C18H20N4O5/c23-15-14(9-19-17(25)13-6-7-21-22-8-13)27-11-18(15,26)10-20-16(24)12-4-2-1-3-5-12/h1-8,14-15,23,26H,9-11H2,(H,19,25)(H,20,24)/t14-,15-,18+/m1/s1
InChIKeyYENUBGXMLNDRSU-RKVPGOIHSA-N
MW372.38 g/mol
LogP-0.87
Rot. Bonds6

About N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide

N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide (PubChem CID 118652111) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide
PubChem CID118652111
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)c1ccnnc1
InChIInChI=1S/C18H20N4O5/c23-15-14(9-19-17(25)13-6-7-21-22-8-13)27-11-18(15,26)10-20-16(24)12-4-2-1-3-5-12/h1-8,14-15,23,26H,9-11H2,(H,19,25)(H,20,24)/t14-,15-,18+/m1/s1
InChIKeyYENUBGXMLNDRSU-RKVPGOIHSA-N
XLogP-0.87
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide (CID 118652111) is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide is O=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)c1ccnnc1.
What is the InChIKey of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is YENUBGXMLNDRSU-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H20N4O5/c23-15-14(9-19-17(25)13-6-7-21-22-8-13)27-11-18(15,26)10-20-16(24)12-4-2-1-3-5-12/h1-8,14-15,23,26H,9-11H2,(H,19,25)(H,20,24)/t14-,15-,18+/m1/s1.
What are the key properties of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide?
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 372.38 g/mol, XLogP of -0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 118652111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).