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

C14H20N4O2 — CID 97362816

IUPAC(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide
SMILESCc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCNC3)cn1
InChIInChI=1S/C14H20N4O2/c1-10-6-17-11(7-16-10)8-18-13(19)14-3-5-20-12(14)2-4-15-9-14/h6-7,12,15H,2-5,8-9H2,1H3,(H,18,19)/t12-,14-/m1/s1
InChIKeyUXQZIIUFKFEVIZ-TZMCWYRMSA-N
MW276.34 g/mol
LogP0.17
Rot. Bonds3

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

(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362816) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide
PubChem CID97362816
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide
SMILESCc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCNC3)cn1
InChIInChI=1S/C14H20N4O2/c1-10-6-17-11(7-16-10)8-18-13(19)14-3-5-20-12(14)2-4-15-9-14/h6-7,12,15H,2-5,8-9H2,1H3,(H,18,19)/t12-,14-/m1/s1
InChIKeyUXQZIIUFKFEVIZ-TZMCWYRMSA-N
XLogP0.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide (CID 97362816) is (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide is Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCNC3)cn1.
What is the InChIKey of (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide?
The InChIKey is UXQZIIUFKFEVIZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-6-17-11(7-16-10)8-18-13(19)14-3-5-20-12(14)2-4-15-9-14/h6-7,12,15H,2-5,8-9H2,1H3,(H,18,19)/t12-,14-/m1/s1.
What are the key properties of (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).