N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide

C17H18N4O4 — CID 91788390

IUPACN-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide
SMILESNC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccnnc2)cc1
InChIInChI=1S/C17H18N4O4/c18-16(22)11-1-3-13(4-2-11)25-15-10-24-8-6-14(15)21-17(23)12-5-7-19-20-9-12/h1-5,7,9,14-15H,6,8,10H2,(H2,18,22)(H,21,23)/t14-,15-/m1/s1
InChIKeyQVFNNWCWUCMSBD-HUUCEWRRSA-N
MW342.36 g/mol
LogP0.54
Rot. Bonds5

About N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide

N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide (PubChem CID 91788390) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide
PubChem CID91788390
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide
SMILESNC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccnnc2)cc1
InChIInChI=1S/C17H18N4O4/c18-16(22)11-1-3-13(4-2-11)25-15-10-24-8-6-14(15)21-17(23)12-5-7-19-20-9-12/h1-5,7,9,14-15H,6,8,10H2,(H2,18,22)(H,21,23)/t14-,15-/m1/s1
InChIKeyQVFNNWCWUCMSBD-HUUCEWRRSA-N
XLogP0.54
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-1-ethylpyrazole-4-carboxamide
CID 91786321
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 91789429
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]morpholine-4-carboxamide
CID 91785022
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91763682
N'-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-N-methylbutanediamide
CID 91780513
4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide
CID 91771131
4-[(3S,4R)-4-(3-methylsulfanylpropanoylamino)oxan-3-yl]oxybenzamide
CID 91797995
4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
CID 91780929
4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide
CID 91770642
4-[(3S,4R)-4-[(2-ethylpyrimidine-5-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91791344
4-[(3S,4R)-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]oxan-3-yl]oxybenzamide
CID 91787674

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide (CID 91788390) is N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide is NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccnnc2)cc1.
What is the InChIKey of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide?
The InChIKey is QVFNNWCWUCMSBD-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H18N4O4/c18-16(22)11-1-3-13(4-2-11)25-15-10-24-8-6-14(15)21-17(23)12-5-7-19-20-9-12/h1-5,7,9,14-15H,6,8,10H2,(H2,18,22)(H,21,23)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide?
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 91788390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).