N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide

C14H18N2O4 — CID 154822153

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C14H18N2O4/c17-11-8-20-13-10(7-19-14(11)13)16-12(18)4-3-9-2-1-5-15-6-9/h1-2,5-6,10-11,13-14,17H,3-4,7-8H2,(H,16,18)/t10-,11-,13-,14-/m1/s1
InChIKeyOQOSFPKHDIFFMC-HBJVGIJOSA-N
MW278.31 g/mol
LogP-0.34
Rot. Bonds4

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide (PubChem CID 154822153) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide
PubChem CID154822153
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C14H18N2O4/c17-11-8-20-13-10(7-19-14(11)13)16-12(18)4-3-9-2-1-5-15-6-9/h1-2,5-6,10-11,13-14,17H,3-4,7-8H2,(H,16,18)/t10-,11-,13-,14-/m1/s1
InChIKeyOQOSFPKHDIFFMC-HBJVGIJOSA-N
XLogP-0.34
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide with MolForge

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Related Compounds

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide
CID 155909570
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-pyridin-3-ylpropanamide
CID 103816944
N-(4-hydroxycyclohexyl)-4-pyridin-3-ylbutanamide
CID 115277500
4-pyridin-3-yl-1-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]butan-2-one
CID 90253466
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2-pyridin-3-ylacetamide
CID 133267139
N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide
CID 126417107
N-[(3S,7R,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-pyridin-3-ylpropanamide
CID 155494701
N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
CID 177435209
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenylmethoxyacetamide
CID 154565135
N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 77081879

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide (CID 154822153) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is OQOSFPKHDIFFMC-HBJVGIJOSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11-8-20-13-10(7-19-14(11)13)16-12(18)4-3-9-2-1-5-15-6-9/h1-2,5-6,10-11,13-14,17H,3-4,7-8H2,(H,16,18)/t10-,11-,13-,14-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 278.31 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 154822153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).