[(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone

C18H21N3O3 — CID 97484734

IUPAC[(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1C[C@@H]2COC[C@]2(CNc2ccccn2)C1
InChIInChI=1S/C18H21N3O3/c1-13-15(5-7-24-13)17(22)21-8-14-9-23-12-18(14,11-21)10-20-16-4-2-3-6-19-16/h2-7,14H,8-12H2,1H3,(H,19,20)/t14-,18+/m1/s1
InChIKeyZZDYGDFOPHFWCJ-KDOFPFPSSA-N
MW327.38 g/mol
LogP2.18
Rot. Bonds4

About [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone

[(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 97484734) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone
PubChem CID97484734
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1C[C@@H]2COC[C@]2(CNc2ccccn2)C1
InChIInChI=1S/C18H21N3O3/c1-13-15(5-7-24-13)17(22)21-8-14-9-23-12-18(14,11-21)10-20-16-4-2-3-6-19-16/h2-7,14H,8-12H2,1H3,(H,19,20)/t14-,18+/m1/s1
InChIKeyZZDYGDFOPHFWCJ-KDOFPFPSSA-N
XLogP2.18
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone with MolForge

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Related Compounds

[(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 98896440
N-[[(3aR,6aR)-5-methylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 155839876
N-[[(3aS,6aR)-5-(pyrimidine-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420566
[(3S,3aR,6aR)-3-[(pyridin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-methylphenyl)methanone
CID 124820934
[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyridin-2-ylmethanone
CID 97484600
N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124782763
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
N-[(3S)-8-(2-methylfuran-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487900
1-[(3aR,6aR)-3a-(pyridin-2-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(dimethylamino)ethanone
CID 97423207
N-[(3R)-8-(2-methylfuran-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487902
[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-amino-4-phenylpyrimidin-5-yl)methanone
CID 163317399
[(3aR,6aR)-3a-(pyridin-2-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837382

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone (CID 97484734) is [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1C[C@@H]2COC[C@]2(CNc2ccccn2)C1.
What is the InChIKey of [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is ZZDYGDFOPHFWCJ-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-15(5-7-24-13)17(22)21-8-14-9-23-12-18(14,11-21)10-20-16-4-2-3-6-19-16/h2-7,14H,8-12H2,1H3,(H,19,20)/t14-,18+/m1/s1.
What are the key properties of [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone?
[(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3a-[(pyridin-2-ylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 97484734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).