N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide

C19H18N4O6 — CID 118652195

IUPACN-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@]1(O)CO[C@H](CN2C(=O)c3ccccc3C2=O)[C@H]1O)c1ccnnc1
InChIInChI=1S/C19H18N4O6/c24-15-14(8-23-17(26)12-3-1-2-4-13(12)18(23)27)29-10-19(15,28)9-20-16(25)11-5-6-21-22-7-11/h1-7,14-15,24,28H,8-10H2,(H,20,25)/t14-,15-,19+/m1/s1
InChIKeyDJRZIPMZPWPWFS-CLCXKQKWSA-N
MW398.38 g/mol
LogP-1.01
Rot. Bonds5

About N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide

N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide (PubChem CID 118652195) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide
PubChem CID118652195
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC NameN-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@]1(O)CO[C@H](CN2C(=O)c3ccccc3C2=O)[C@H]1O)c1ccnnc1
InChIInChI=1S/C19H18N4O6/c24-15-14(8-23-17(26)12-3-1-2-4-13(12)18(23)27)29-10-19(15,28)9-20-16(25)11-5-6-21-22-7-11/h1-7,14-15,24,28H,8-10H2,(H,20,25)/t14-,15-,19+/m1/s1
InChIKeyDJRZIPMZPWPWFS-CLCXKQKWSA-N
XLogP-1.01
TPSA141.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide (CID 118652195) is N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide is O=C(NC[C@]1(O)CO[C@H](CN2C(=O)c3ccccc3C2=O)[C@H]1O)c1ccnnc1.
What is the InChIKey of N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is DJRZIPMZPWPWFS-CLCXKQKWSA-N. The full InChI is InChI=1S/C19H18N4O6/c24-15-14(8-23-17(26)12-3-1-2-4-13(12)18(23)27)29-10-19(15,28)9-20-16(25)11-5-6-21-22-7-11/h1-7,14-15,24,28H,8-10H2,(H,20,25)/t14-,15-,19+/m1/s1.
What are the key properties of N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide?
N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 398.38 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 118652195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).