N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide

C18H19FN2O4 — CID 90653237

IUPACN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cc(CO)ccn1
InChIInChI=1S/C18H19FN2O4/c19-13-2-1-3-14(9-13)25-17-5-7-24-11-16(17)21-18(23)15-8-12(10-22)4-6-20-15/h1-4,6,8-9,16-17,22H,5,7,10-11H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyXJYJBQHTPXXLRJ-SJORKVTESA-N
MW346.36 g/mol
LogP1.68
Rot. Bonds5

About N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide

N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 90653237) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID90653237
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cc(CO)ccn1
InChIInChI=1S/C18H19FN2O4/c19-13-2-1-3-14(9-13)25-17-5-7-24-11-16(17)21-18(23)15-8-12(10-22)4-6-20-15/h1-4,6,8-9,16-17,22H,5,7,10-11H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyXJYJBQHTPXXLRJ-SJORKVTESA-N
XLogP1.68
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide
CID 91786162
6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91797334
4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide
CID 91787921
4-[(3S,4R)-4-[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]oxan-3-yl]oxybenzoic acid
CID 91774592
2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91782920

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide (CID 90653237) is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cc(CO)ccn1.
What is the InChIKey of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is XJYJBQHTPXXLRJ-SJORKVTESA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-13-2-1-3-14(9-13)25-17-5-7-24-11-16(17)21-18(23)15-8-12(10-22)4-6-20-15/h1-4,6,8-9,16-17,22H,5,7,10-11H2,(H,21,23)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide?
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90653237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).