N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H18N4O4 — CID 91775509

IUPACN-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCOC[C@H]2Oc2ccc(C#N)cc2)ccc1=O
InChIInChI=1S/C18H18N4O4/c1-22-17(23)7-6-15(21-22)18(24)20-14-8-9-25-11-16(14)26-13-4-2-12(10-19)3-5-13/h2-7,14,16H,8-9,11H2,1H3,(H,20,24)/t14?,16-/m1/s1
InChIKeyRLHGDPKRKNNKAS-BZSJEYESSA-N
MW354.37 g/mol
LogP0.62
Rot. Bonds4

About N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 91775509) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID91775509
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCOC[C@H]2Oc2ccc(C#N)cc2)ccc1=O
InChIInChI=1S/C18H18N4O4/c1-22-17(23)7-6-15(21-22)18(24)20-14-8-9-25-11-16(14)26-13-4-2-12(10-19)3-5-13/h2-7,14,16H,8-9,11H2,1H3,(H,20,24)/t14?,16-/m1/s1
InChIKeyRLHGDPKRKNNKAS-BZSJEYESSA-N
XLogP0.62
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 91778480
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91760865
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 91762696
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 91779564
3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide
CID 91798129
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2,5-dimethylpyrazole-3-sulfonamide
CID 91773650
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 91760636
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91797996
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91784559

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 91775509) is N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCOC[C@H]2Oc2ccc(C#N)cc2)ccc1=O.
What is the InChIKey of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is RLHGDPKRKNNKAS-BZSJEYESSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-22-17(23)7-6-15(21-22)18(24)20-14-8-9-25-11-16(14)26-13-4-2-12(10-19)3-5-13/h2-7,14,16H,8-9,11H2,1H3,(H,20,24)/t14?,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 91775509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).