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

C13H21N3O — CID 43643307

IUPAC4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H21N3O/c1-8(2)9(3)15-13(17)12-6-10(14)7-16(12)11-4-5-11/h6-9,11H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyKEBFXGAQOXATKM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.18
Rot. Bonds4

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

4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide (PubChem CID 43643307) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
PubChem CID43643307
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H21N3O/c1-8(2)9(3)15-13(17)12-6-10(14)7-16(12)11-4-5-11/h6-9,11H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyKEBFXGAQOXATKM-UHFFFAOYSA-N
XLogP2.18
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide (CID 43643307) is 4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide is CC(C)C(C)NC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide?
The InChIKey is KEBFXGAQOXATKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)9(3)15-13(17)12-6-10(14)7-16(12)11-4-5-11/h6-9,11H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).