(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

C18H29N3O3 — CID 97460036

IUPAC(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
SMILESCC(C)NC(=O)N1CC[C@H]2CO[C@H](CN(C)Cc3ccco3)[C@H]2C1
InChIInChI=1S/C18H29N3O3/c1-13(2)19-18(22)21-7-6-14-12-24-17(16(14)10-21)11-20(3)9-15-5-4-8-23-15/h4-5,8,13-14,16-17H,6-7,9-12H2,1-3H3,(H,19,22)/t14-,16-,17+/m0/s1
InChIKeyJXCYFGNPKSQQEW-BHYGNILZSA-N
MW335.45 g/mol
LogP2.17
Rot. Bonds5

About (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

(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 (PubChem CID 97460036) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97460036
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(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
SMILESCC(C)NC(=O)N1CC[C@H]2CO[C@H](CN(C)Cc3ccco3)[C@H]2C1
InChIInChI=1S/C18H29N3O3/c1-13(2)19-18(22)21-7-6-14-12-24-17(16(14)10-21)11-20(3)9-15-5-4-8-23-15/h4-5,8,13-14,16-17H,6-7,9-12H2,1-3H3,(H,19,22)/t14-,16-,17+/m0/s1
InChIKeyJXCYFGNPKSQQEW-BHYGNILZSA-N
XLogP2.17
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

[(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-[(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
[(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-[(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
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269
(3R)-3-acetamido-N-[(2S)-1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 97087871

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)NC(=O)N1CC[C@H]2CO[C@H](CN(C)Cc3ccco3)[C@H]2C1.
What is the InChIKey of (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?
The InChIKey is JXCYFGNPKSQQEW-BHYGNILZSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)19-18(22)21-7-6-14-12-24-17(16(14)10-21)11-20(3)9-15-5-4-8-23-15/h4-5,8,13-14,16-17H,6-7,9-12H2,1-3H3,(H,19,22)/t14-,16-,17+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 335.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97460036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).