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

C19H25N3O2 — CID 124817028

IUPAC1-[(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
SMILESCN(Cc1ccco1)C[C@@H]1OC[C@H]2CN(c3ccccn3)CC[C@H]21
InChIInChI=1S/C19H25N3O2/c1-21(12-16-5-4-10-23-16)13-18-17-7-9-22(11-15(17)14-24-18)19-6-2-3-8-20-19/h2-6,8,10,15,17-18H,7,9,11-14H2,1H3/t15-,17-,18+/m1/s1
InChIKeyNDUKVDIKYCEWNJ-NXHRZFHOSA-N
MW327.43 g/mol
LogP2.65
Rot. Bonds5

About 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

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 (PubChem CID 124817028) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID124817028
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(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
SMILESCN(Cc1ccco1)C[C@@H]1OC[C@H]2CN(c3ccccn3)CC[C@H]21
InChIInChI=1S/C19H25N3O2/c1-21(12-16-5-4-10-23-16)13-18-17-7-9-22(11-15(17)14-24-18)19-6-2-3-8-20-19/h2-6,8,10,15,17-18H,7,9,11-14H2,1H3/t15-,17-,18+/m1/s1
InChIKeyNDUKVDIKYCEWNJ-NXHRZFHOSA-N
XLogP2.65
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[(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-[(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-(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
[(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
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
(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
1-[(1R,3aR,7aR)-5-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine;tris(2,2,2-trifluoroacetic acid)
CID 127022346
[(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
N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide
CID 124780493
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-[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(Cc1ccco1)C[C@@H]1OC[C@H]2CN(c3ccccn3)CC[C@H]21.
What is the InChIKey of 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?
The InChIKey is NDUKVDIKYCEWNJ-NXHRZFHOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(12-16-5-4-10-23-16)13-18-17-7-9-22(11-15(17)14-24-18)19-6-2-3-8-20-19/h2-6,8,10,15,17-18H,7,9,11-14H2,1H3/t15-,17-,18+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 327.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124817028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).