N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide

C16H23FN4O3 — CID 98894686

IUPACN-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC[C@@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H23FN4O3/c1-23-10-14(22)18-5-3-16-4-7-24-13(16)2-6-21(11-16)15-19-8-12(17)9-20-15/h8-9,13H,2-7,10-11H2,1H3,(H,18,22)/t13-,16+/m1/s1
InChIKeyVTJCPJOZNIHNMM-CJNGLKHVSA-N
MW338.38 g/mol
LogP0.75
Rot. Bonds6

About N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide

N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide (PubChem CID 98894686) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide
PubChem CID98894686
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC NameN-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC[C@@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H23FN4O3/c1-23-10-14(22)18-5-3-16-4-7-24-13(16)2-6-21(11-16)15-19-8-12(17)9-20-15/h8-9,13H,2-7,10-11H2,1H3,(H,18,22)/t13-,16+/m1/s1
InChIKeyVTJCPJOZNIHNMM-CJNGLKHVSA-N
XLogP0.75
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide with MolForge

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Related Compounds

2-[[(4aS,8aS)-6-(5-fluoropyrimidin-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97363769
(4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363954
6-(5-fluoropyrimidin-2-yl)-4a-(pyridin-4-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155845053
(4aR,8aS)-6-(5-fluoropyrimidin-2-yl)-4a-(pyridin-2-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 124519779
N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 124798958
2-[[(3aS,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97421443
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431381
4a-[(3-fluoro-2-pyridinyl)oxymethyl]-6-pyrimidin-2-yl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155827985
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
CID 91814105
1-[(3aS,7aR)-3a-(methoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone
CID 97422567
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 91814073
N-[2-[(3aS,7aR)-5-[(4-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine
CID 97476325

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide (CID 98894686) is N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide is COCC(=O)NCC[C@@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2.
What is the InChIKey of N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide?
The InChIKey is VTJCPJOZNIHNMM-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-23-10-14(22)18-5-3-16-4-7-24-13(16)2-6-21(11-16)15-19-8-12(17)9-20-15/h8-9,13H,2-7,10-11H2,1H3,(H,18,22)/t13-,16+/m1/s1.
What are the key properties of N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide?
N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide has a molecular weight of 338.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 98894686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).