(3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide

C19H25N5O4 — CID 146068664

IUPAC(3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCCCNC(=O)N1C[C@@H]2CN(C(=O)c3ccoc3)CC[C@]2(c2nnc(C)o2)C1
InChIInChI=1S/C19H25N5O4/c1-3-6-20-18(26)24-10-15-9-23(16(25)14-4-8-27-11-14)7-5-19(15,12-24)17-22-21-13(2)28-17/h4,8,11,15H,3,5-7,9-10,12H2,1-2H3,(H,20,26)/t15-,19-/m0/s1
InChIKeyVFSUCLLKSKOELK-KXBFYZLASA-N
MW387.44 g/mol
LogP1.81
Rot. Bonds4

About (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide

(3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 146068664) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID146068664
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name(3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCCCNC(=O)N1C[C@@H]2CN(C(=O)c3ccoc3)CC[C@]2(c2nnc(C)o2)C1
InChIInChI=1S/C19H25N5O4/c1-3-6-20-18(26)24-10-15-9-23(16(25)14-4-8-27-11-14)7-5-19(15,12-24)17-22-21-13(2)28-17/h4,8,11,15H,3,5-7,9-10,12H2,1-2H3,(H,20,26)/t15-,19-/m0/s1
InChIKeyVFSUCLLKSKOELK-KXBFYZLASA-N
XLogP1.81
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 146068664) is (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide is CCCNC(=O)N1C[C@@H]2CN(C(=O)c3ccoc3)CC[C@]2(c2nnc(C)o2)C1.
What is the InChIKey of (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is VFSUCLLKSKOELK-KXBFYZLASA-N. The full InChI is InChI=1S/C19H25N5O4/c1-3-6-20-18(26)24-10-15-9-23(16(25)14-4-8-27-11-14)7-5-19(15,12-24)17-22-21-13(2)28-17/h4,8,11,15H,3,5-7,9-10,12H2,1-2H3,(H,20,26)/t15-,19-/m0/s1.
What are the key properties of (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
(3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 146068664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).