(3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

C17H20N4O3 — CID 97364954

IUPAC(3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1
InChIInChI=1S/C17H20N4O3/c22-17(20-16-9-18-5-6-19-16)15-2-1-13-14(24-15)3-7-21(13)10-12-4-8-23-11-12/h4-6,8-9,11,13-15H,1-3,7,10H2,(H,19,20,22)/t13-,14-,15-/m1/s1
InChIKeyATNOGOSKBPMBAU-RBSFLKMASA-N
MW328.37 g/mol
LogP1.83
Rot. Bonds4

About (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

(3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (PubChem CID 97364954) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
PubChem CID97364954
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1
InChIInChI=1S/C17H20N4O3/c22-17(20-16-9-18-5-6-19-16)15-2-1-13-14(24-15)3-7-21(13)10-12-4-8-23-11-12/h4-6,8-9,11,13-15H,1-3,7,10H2,(H,19,20,22)/t13-,14-,15-/m1/s1
InChIKeyATNOGOSKBPMBAU-RBSFLKMASA-N
XLogP1.83
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

(3aR,5S,7aR)-1-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97387748
(3aR,5S,7aR)-N-(cyclopropylmethyl)-1-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461407
[(3aR,5R,7aR)-1-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97415838
(3aR,5R,7aR)-1-(furan-2-ylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461751
(3aR,5R,7aR)-N-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97380256
(2S,3aR,6aR)-4-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97378354
(3aS,5R,7aS)-1-[(5-methylfuran-2-yl)methyl]-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 124813078
(3aR,5S,7aR)-1-(furan-2-ylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155837119
(2S,3aR,6aR)-4-(furan-3-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 124820150
(3aR,5S,7aR)-1-prop-2-enyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97415392
(2S,3aR,7aR)-6-[(5-ethylfuran-2-yl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124914052
(3aR,6aS)-4-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97378577

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (CID 97364954) is (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is O=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1.
What is the InChIKey of (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ATNOGOSKBPMBAU-RBSFLKMASA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(20-16-9-18-5-6-19-16)15-2-1-13-14(24-15)3-7-21(13)10-12-4-8-23-11-12/h4-6,8-9,11,13-15H,1-3,7,10H2,(H,19,20,22)/t13-,14-,15-/m1/s1.
What are the key properties of (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
(3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,7aR)-1-(furan-3-ylmethyl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 97364954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).