(3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

C18H26N2O3 — CID 97387977

IUPAC(3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CN(C2CCCC2)C[C@H]2OCC[C@@H]12
InChIInChI=1S/C18H26N2O3/c21-18(19-10-14-6-3-8-22-14)16-11-20(13-4-1-2-5-13)12-17-15(16)7-9-23-17/h3,6,8,13,15-17H,1-2,4-5,7,9-12H2,(H,19,21)/t15-,16-,17+/m0/s1
InChIKeyAKLAQPFNVBGAQY-YESZJQIVSA-N
MW318.42 g/mol
LogP2.18
Rot. Bonds4

About (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

(3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (PubChem CID 97387977) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
PubChem CID97387977
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CN(C2CCCC2)C[C@H]2OCC[C@@H]12
InChIInChI=1S/C18H26N2O3/c21-18(19-10-14-6-3-8-22-14)16-11-20(13-4-1-2-5-13)12-17-15(16)7-9-23-17/h3,6,8,13,15-17H,1-2,4-5,7,9-12H2,(H,19,21)/t15-,16-,17+/m0/s1
InChIKeyAKLAQPFNVBGAQY-YESZJQIVSA-N
XLogP2.18
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide with MolForge

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Related Compounds

(3aR,4S,7aR)-N-(furan-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 124783202
(3aS,4S,7aS)-N-(furan-2-ylmethyl)-6-[(3-methylthiophen-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155875982
(3aS,4S,7aS)-N-(furan-2-ylmethyl)-6-[(3-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155877207
(3aS,6R,7aS)-4-(cyclopentylmethyl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124783284
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
(3aR,6S,7aR)-N,4-bis(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380410
(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365132
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
(3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 124782301
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95563646
(3aR,6S,7aR)-4-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365129

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (CID 97387977) is (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is O=C(NCc1ccco1)[C@H]1CN(C2CCCC2)C[C@H]2OCC[C@@H]12.
What is the InChIKey of (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The InChIKey is AKLAQPFNVBGAQY-YESZJQIVSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(19-10-14-6-3-8-22-14)16-11-20(13-4-1-2-5-13)12-17-15(16)7-9-23-17/h3,6,8,13,15-17H,1-2,4-5,7,9-12H2,(H,19,21)/t15-,16-,17+/m0/s1.
What are the key properties of (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
(3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 97387977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).