[(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone

C19H29N3O3 — CID 125225529

IUPAC[(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1ccco1)C[C@@H]1OC[C@H]2CCN(C(=O)N3CCCC3)C[C@H]21
InChIInChI=1S/C19H29N3O3/c1-20(11-16-5-4-10-24-16)13-18-17-12-22(9-6-15(17)14-25-18)19(23)21-7-2-3-8-21/h4-5,10,15,17-18H,2-3,6-9,11-14H2,1H3/t15-,17-,18+/m1/s1
InChIKeyDSUYTEYHJSPRDD-NXHRZFHOSA-N
MW347.46 g/mol
LogP2.26
Rot. Bonds4

About [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone

[(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 125225529) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID125225529
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1ccco1)C[C@@H]1OC[C@H]2CCN(C(=O)N3CCCC3)C[C@H]21
InChIInChI=1S/C19H29N3O3/c1-20(11-16-5-4-10-24-16)13-18-17-12-22(9-6-15(17)14-25-18)19(23)21-7-2-3-8-21/h4-5,10,15,17-18H,2-3,6-9,11-14H2,1H3/t15-,17-,18+/m1/s1
InChIKeyDSUYTEYHJSPRDD-NXHRZFHOSA-N
XLogP2.26
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,3aR,7aR)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboxamide
CID 97460036
[(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 124816591
1-[(3R,3aS,7aS)-5-cyclopropylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 124816780
1-[(3S,3aR,7aR)-5-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 97379037
1-[(1R,3aR,7aR)-5-ethylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 124805197
1-[(3S,3aR,7aR)-5-[(5-methylthiophen-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 127022491
1-[(3S,3aR,7aR)-5-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 97379041
1-[(3R,3aS,7aS)-5-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 124803283
1-[(3S,3aR,7aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155847372
1-[(1R,3aR,7aR)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 124817028
[(3S,3aR,7aR)-3-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97459916
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone (CID 125225529) is [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone is CN(Cc1ccco1)C[C@@H]1OC[C@H]2CCN(C(=O)N3CCCC3)C[C@H]21.
What is the InChIKey of [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DSUYTEYHJSPRDD-NXHRZFHOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-20(11-16-5-4-10-24-16)13-18-17-12-22(9-6-15(17)14-25-18)19(23)21-7-2-3-8-21/h4-5,10,15,17-18H,2-3,6-9,11-14H2,1H3/t15-,17-,18+/m1/s1.
What are the key properties of [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
[(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,7aS)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 125225529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).