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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Related Compounds

CID 4461
CID 4461
CID 24978957
CID 24978957
CID 202542
CID 202542
CID 2379477
CID 2379477
CID 5351456
CID 5351456
CID 16110298
CID 16110298
CID 16110299
CID 16110299
CID 16110303
CID 16110303
CID 16110304
CID 16110304
CID 25093407
CID 25093407
CID 25161651
CID 25161651
CID 3009864
CID 3009864

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).