4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide

C14H23N3O — CID 64569791

IUPAC4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C14H23N3O/c1-9(2)10(3)7-16-14(18)13-6-11(15)8-17(13)12-4-5-12/h6,8-10,12H,4-5,7,15H2,1-3H3,(H,16,18)
InChIKeyBEPHOKULYBXGIT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.43
Rot. Bonds5

About 4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide (PubChem CID 64569791) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
PubChem CID64569791
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C14H23N3O/c1-9(2)10(3)7-16-14(18)13-6-11(15)8-17(13)12-4-5-12/h6,8-10,12H,4-5,7,15H2,1-3H3,(H,16,18)
InChIKeyBEPHOKULYBXGIT-UHFFFAOYSA-N
XLogP2.43
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.43
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-(2,3-dimethylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide (CID 64569791) is 4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide is CC(C)C(C)CNC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide?
The InChIKey is BEPHOKULYBXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)10(3)7-16-14(18)13-6-11(15)8-17(13)12-4-5-12/h6,8-10,12H,4-5,7,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.43, 5 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-(2,3-dimethylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 64569791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).