N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide

C19H19N3O4 — CID 91778480

IUPACN-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cc1=O
InChIInChI=1S/C19H19N3O4/c1-22-8-6-14(10-18(22)23)19(24)21-16-7-9-25-12-17(16)26-15-4-2-13(11-20)3-5-15/h2-6,8,10,16-17H,7,9,12H2,1H3,(H,21,24)/t16-,17-/m1/s1
InChIKeySIILABFCEKMTSE-IAGOWNOFSA-N
MW353.38 g/mol
LogP1.22
Rot. Bonds4

About N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 91778480) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID91778480
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cc1=O
InChIInChI=1S/C19H19N3O4/c1-22-8-6-14(10-18(22)23)19(24)21-16-7-9-25-12-17(16)26-15-4-2-13(11-20)3-5-15/h2-6,8,10,16-17H,7,9,12H2,1H3,(H,21,24)/t16-,17-/m1/s1
InChIKeySIILABFCEKMTSE-IAGOWNOFSA-N
XLogP1.22
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 91778480) is N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cc1=O.
What is the InChIKey of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is SIILABFCEKMTSE-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-22-8-6-14(10-18(22)23)19(24)21-16-7-9-25-12-17(16)26-15-4-2-13(11-20)3-5-15/h2-6,8,10,16-17H,7,9,12H2,1H3,(H,21,24)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 91778480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).