6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide

C18H26N4O3 — CID 70709343

IUPAC6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1c(C(N)=O)cc2c1CN(C(=O)C1CC(=O)N(C(C)(C)C)C1)CC2
InChIInChI=1S/C18H26N4O3/c1-18(2,3)22-9-12(8-15(22)23)17(25)21-6-5-11-7-13(16(19)24)20(4)14(11)10-21/h7,12H,5-6,8-10H2,1-4H3,(H2,19,24)
InChIKeyAVBNXBSEGLVGBM-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.66
Rot. Bonds2

About 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide

6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 70709343) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID70709343
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1c(C(N)=O)cc2c1CN(C(=O)C1CC(=O)N(C(C)(C)C)C1)CC2
InChIInChI=1S/C18H26N4O3/c1-18(2,3)22-9-12(8-15(22)23)17(25)21-6-5-11-7-13(16(19)24)20(4)14(11)10-21/h7,12H,5-6,8-10H2,1-4H3,(H2,19,24)
InChIKeyAVBNXBSEGLVGBM-UHFFFAOYSA-N
XLogP0.66
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 70709343) is 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1c(C(N)=O)cc2c1CN(C(=O)C1CC(=O)N(C(C)(C)C)C1)CC2.
What is the InChIKey of 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is AVBNXBSEGLVGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2,3)22-9-12(8-15(22)23)17(25)21-6-5-11-7-13(16(19)24)20(4)14(11)10-21/h7,12H,5-6,8-10H2,1-4H3,(H2,19,24).
What are the key properties of 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 70709343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).