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

C19H28N4O2 — CID 97366571

IUPAC(2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C4CCCC4)C[C@H]3O2)cn1
InChIInChI=1S/C19H28N4O2/c1-13-9-21-15(10-20-13)11-22-19(24)17-8-14-6-7-23(12-18(14)25-17)16-4-2-3-5-16/h9-10,14,16-18H,2-8,11-12H2,1H3,(H,22,24)/t14-,17+,18+/m0/s1
InChIKeyCSKZRDGYPQFUHM-BMGDILEWSA-N
MW344.46 g/mol
LogP1.82
Rot. Bonds4

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

(2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366571) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366571
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C4CCCC4)C[C@H]3O2)cn1
InChIInChI=1S/C19H28N4O2/c1-13-9-21-15(10-20-13)11-22-19(24)17-8-14-6-7-23(12-18(14)25-17)16-4-2-3-5-16/h9-10,14,16-18H,2-8,11-12H2,1H3,(H,22,24)/t14-,17+,18+/m0/s1
InChIKeyCSKZRDGYPQFUHM-BMGDILEWSA-N
XLogP1.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366571) is (2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C4CCCC4)C[C@H]3O2)cn1.
What is the InChIKey of (2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is CSKZRDGYPQFUHM-BMGDILEWSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-9-21-15(10-20-13)11-22-19(24)17-8-14-6-7-23(12-18(14)25-17)16-4-2-3-5-16/h9-10,14,16-18H,2-8,11-12H2,1H3,(H,22,24)/t14-,17+,18+/m0/s1.
What are the key properties of (2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-6-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).