(3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide

C17H25N3O3 — CID 128615066

IUPAC(3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c(=O)n1C
InChIInChI=1S/C17H25N3O3/c1-11-5-6-12(15(21)19(11)4)7-18-16(22)20-10-17(2,3)13-8-23-9-14(13)20/h5-6,13-14H,7-10H2,1-4H3,(H,18,22)/t13-,14+/m1/s1
InChIKeySWCHCFFIHXAZAD-KGLIPLIRSA-N
MW319.40 g/mol
LogP1.26
Rot. Bonds2

About (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide

(3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide (PubChem CID 128615066) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide
PubChem CID128615066
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c(=O)n1C
InChIInChI=1S/C17H25N3O3/c1-11-5-6-12(15(21)19(11)4)7-18-16(22)20-10-17(2,3)13-8-23-9-14(13)20/h5-6,13-14H,7-10H2,1-4H3,(H,18,22)/t13-,14+/m1/s1
InChIKeySWCHCFFIHXAZAD-KGLIPLIRSA-N
XLogP1.26
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide?
The IUPAC name of (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide (CID 128615066) is (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide.
What is the SMILES notation for (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide?
The canonical SMILES for (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide is Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c(=O)n1C.
What is the InChIKey of (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide?
The InChIKey is SWCHCFFIHXAZAD-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-5-6-12(15(21)19(11)4)7-18-16(22)20-10-17(2,3)13-8-23-9-14(13)20/h5-6,13-14H,7-10H2,1-4H3,(H,18,22)/t13-,14+/m1/s1.
What are the key properties of (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide?
(3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide is sourced from PubChem (CID 128615066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).