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

C21H25N3O2 — CID 124801292

IUPAC[(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@@H]2OCC[C@]2(CCNc2ccccn2)C1
InChIInChI=1S/C21H25N3O2/c25-20(17-6-2-1-3-7-17)24-14-9-18-21(16-24,11-15-26-18)10-13-23-19-8-4-5-12-22-19/h1-8,12,18H,9-11,13-16H2,(H,22,23)/t18-,21+/m0/s1
InChIKeyRSPFICUIVGEOIP-GHTZIAJQSA-N
MW351.45 g/mol
LogP3.20
Rot. Bonds5

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

[(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone (PubChem CID 124801292) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone
PubChem CID124801292
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@@H]2OCC[C@]2(CCNc2ccccn2)C1
InChIInChI=1S/C21H25N3O2/c25-20(17-6-2-1-3-7-17)24-14-9-18-21(16-24,11-15-26-18)10-13-23-19-8-4-5-12-22-19/h1-8,12,18H,9-11,13-16H2,(H,22,23)/t18-,21+/m0/s1
InChIKeyRSPFICUIVGEOIP-GHTZIAJQSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[2-[(3aS,7aR)-5-[(5-methylfuran-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155842772
[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone;2,2,2-trifluoroacetic acid
CID 155843190
[4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-pyridin-4-ylmethanone
CID 131646690
[(3aR,7aS)-3a-(pyridin-2-ylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 124803739
[(3aS,7aR)-3a-(pyridin-2-ylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 97423374
N-[2-[(3aS,7aR)-5-(furan-3-carbonyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 97476498
[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-pyridin-2-ylmethanone
CID 131648914
[(4aR,8aR)-4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-pyridin-2-ylmethanone
CID 97364320
phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124803332
[(4aS,8aS)-4a-(pyridin-2-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(furan-3-yl)methanone
CID 97364180
[4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-pyridin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155845684
[(4aS,8aR)-4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-pyrazin-2-ylmethanone
CID 97364304

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone?
The IUPAC name of [(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone (CID 124801292) is [(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone is O=C(c1ccccc1)N1CC[C@@H]2OCC[C@]2(CCNc2ccccn2)C1.
What is the InChIKey of [(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone?
The InChIKey is RSPFICUIVGEOIP-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(17-6-2-1-3-7-17)24-14-9-18-21(16-24,11-15-26-18)10-13-23-19-8-4-5-12-22-19/h1-8,12,18H,9-11,13-16H2,(H,22,23)/t18-,21+/m0/s1.
What are the key properties of [(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone?
[(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone has a molecular weight of 351.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 124801292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).