(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

C19H24N4O3 — CID 124914052

IUPAC(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
SMILESCCc1ccc(CN2CC[C@@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@H]3C2)o1
InChIInChI=1S/C19H24N4O3/c1-2-14-3-4-15(25-14)11-23-8-5-13-9-16(26-17(13)12-23)19(24)22-18-10-20-6-7-21-18/h3-4,6-7,10,13,16-17H,2,5,8-9,11-12H2,1H3,(H,21,22,24)/t13-,16+,17+/m1/s1
InChIKeyQDKDXDIXPOUWHO-COXVUDFISA-N
MW356.43 g/mol
LogP2.25
Rot. Bonds5

About (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

(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 (PubChem CID 124914052) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124914052
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(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
SMILESCCc1ccc(CN2CC[C@@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@H]3C2)o1
InChIInChI=1S/C19H24N4O3/c1-2-14-3-4-15(25-14)11-23-8-5-13-9-16(26-17(13)12-23)19(24)22-18-10-20-6-7-21-18/h3-4,6-7,10,13,16-17H,2,5,8-9,11-12H2,1H3,(H,21,22,24)/t13-,16+,17+/m1/s1
InChIKeyQDKDXDIXPOUWHO-COXVUDFISA-N
XLogP2.25
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3aS,7aS)-6-[(3-fluorophenyl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388605
(2R,3aR,7aR)-6-ethyl-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124830487
(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131687089
(2R,3aS,7aR)-N-pyridin-3-yl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388674
(2S,3aR,7aR)-N-cyclobutyl-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124786275
(2R,3aS,7aS)-N-cyclopropyl-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155902655
(2S,3aS,7aR)-N-cyclopropyl-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97364900
(2R,3aS,7aS)-6-(2-methoxyethyl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366587
(2S,3aR,7aR)-N-pyridin-3-yl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781922
(2S,3aS,7aR)-N-pyridin-3-yl-6-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 155845052
(2R,3aS,7aR)-N-pyridin-3-yl-6-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 155824288
(2S,3aS,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366745

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1ccc(CN2CC[C@@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@H]3C2)o1.
What is the InChIKey of (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?
The InChIKey is QDKDXDIXPOUWHO-COXVUDFISA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-14-3-4-15(25-14)11-23-8-5-13-9-16(26-17(13)12-23)19(24)22-18-10-20-6-7-21-18/h3-4,6-7,10,13,16-17H,2,5,8-9,11-12H2,1H3,(H,21,22,24)/t13-,16+,17+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 356.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124914052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).