N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide

C20H23FN2O2 — CID 97220616

IUPACN-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide
SMILESO=C(CC[C@@H]1CCCOC1)N[C@@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C20H23FN2O2/c21-17-9-7-16(8-10-17)20(18-5-1-2-12-22-18)23-19(24)11-6-15-4-3-13-25-14-15/h1-2,5,7-10,12,15,20H,3-4,6,11,13-14H2,(H,23,24)/t15-,20-/m0/s1
InChIKeyIFPQNYCSYNKMCZ-YWZLYKJASA-N
MW342.41 g/mol
LogP3.63
Rot. Bonds6

About N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide

N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide (PubChem CID 97220616) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide
PubChem CID97220616
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide
SMILESO=C(CC[C@@H]1CCCOC1)N[C@@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C20H23FN2O2/c21-17-9-7-16(8-10-17)20(18-5-1-2-12-22-18)23-19(24)11-6-15-4-3-13-25-14-15/h1-2,5,7-10,12,15,20H,3-4,6,11,13-14H2,(H,23,24)/t15-,20-/m0/s1
InChIKeyIFPQNYCSYNKMCZ-YWZLYKJASA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide (CID 97220616) is N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide is O=C(CC[C@@H]1CCCOC1)N[C@@H](c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide?
The InChIKey is IFPQNYCSYNKMCZ-YWZLYKJASA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-9-7-16(8-10-17)20(18-5-1-2-12-22-18)23-19(24)11-6-15-4-3-13-25-14-15/h1-2,5,7-10,12,15,20H,3-4,6,11,13-14H2,(H,23,24)/t15-,20-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide?
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide has a molecular weight of 342.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide is sourced from PubChem (CID 97220616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).