4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide

C13H18N4O2 — CID 106249461

IUPAC4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)cn2C2CC2)C1=O
InChIInChI=1S/C13H18N4O2/c1-16-5-4-10(13(16)19)15-12(18)11-6-8(14)7-17(11)9-2-3-9/h6-7,9-10H,2-5,14H2,1H3,(H,15,18)
InChIKeyHRKZYGUMFKFDOR-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.37
Rot. Bonds3

About 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide (PubChem CID 106249461) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
PubChem CID106249461
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)cn2C2CC2)C1=O
InChIInChI=1S/C13H18N4O2/c1-16-5-4-10(13(16)19)15-12(18)11-6-8(14)7-17(11)9-2-3-9/h6-7,9-10H,2-5,14H2,1H3,(H,15,18)
InChIKeyHRKZYGUMFKFDOR-UHFFFAOYSA-N
XLogP0.37
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide (CID 106249461) is 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide is CN1CCC(NC(=O)c2cc(N)cn2C2CC2)C1=O.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide?
The InChIKey is HRKZYGUMFKFDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-5-4-10(13(16)19)15-12(18)11-6-8(14)7-17(11)9-2-3-9/h6-7,9-10H,2-5,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 106249461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).