N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide

C11H19N3O — CID 63732838

IUPACN-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCCC(N)CNC(=O)c1ccc(C)n1C
InChIInChI=1S/C11H19N3O/c1-4-9(12)7-13-11(15)10-6-5-8(2)14(10)3/h5-6,9H,4,7,12H2,1-3H3,(H,13,15)
InChIKeyBIUUVEIKDQGXKS-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.80
Rot. Bonds4

About N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide

N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 63732838) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
PubChem CID63732838
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCCC(N)CNC(=O)c1ccc(C)n1C
InChIInChI=1S/C11H19N3O/c1-4-9(12)7-13-11(15)10-6-5-8(2)14(10)3/h5-6,9H,4,7,12H2,1-3H3,(H,13,15)
InChIKeyBIUUVEIKDQGXKS-UHFFFAOYSA-N
XLogP0.80
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 119526933
N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide
CID 66107997
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
CID 42930410
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469560
(3S)-3-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65494915
N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 116650019
N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 82994248
N-(2-aminobutyl)-3-methylfuran-2-carboxamide
CID 63732617
N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 107318560
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 131926202
2-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243123

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide (CID 63732838) is N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide is CCC(N)CNC(=O)c1ccc(C)n1C.
What is the InChIKey of N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is BIUUVEIKDQGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-9(12)7-13-11(15)10-6-5-8(2)14(10)3/h5-6,9H,4,7,12H2,1-3H3,(H,13,15).
What are the key properties of N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide?
N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 63732838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).