(3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C19H28N4O2 — CID 97362818

IUPAC(3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C2CCCC2)C3)cn1
InChIInChI=1S/C19H28N4O2/c1-14-10-21-15(11-20-14)12-22-18(24)19-7-9-25-17(19)6-8-23(13-19)16-4-2-3-5-16/h10-11,16-17H,2-9,12-13H2,1H3,(H,22,24)/t17-,19-/m1/s1
InChIKeyLBMCJPUAKWONEY-IEBWSBKVSA-N
MW344.46 g/mol
LogP1.82
Rot. Bonds4

About (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362818) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362818
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C2CCCC2)C3)cn1
InChIInChI=1S/C19H28N4O2/c1-14-10-21-15(11-20-14)12-22-18(24)19-7-9-25-17(19)6-8-23(13-19)16-4-2-3-5-16/h10-11,16-17H,2-9,12-13H2,1H3,(H,22,24)/t17-,19-/m1/s1
InChIKeyLBMCJPUAKWONEY-IEBWSBKVSA-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 (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-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 (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362818) is (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C2CCCC2)C3)cn1.
What is the InChIKey of (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is LBMCJPUAKWONEY-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-10-21-15(11-20-14)12-22-18(24)19-7-9-25-17(19)6-8-23(13-19)16-4-2-3-5-16/h10-11,16-17H,2-9,12-13H2,1H3,(H,22,24)/t17-,19-/m1/s1.
What are the key properties of (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-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 (3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).