4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide

C11H19N3O2 — CID 106118881

IUPAC4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
SMILESCC(O)CCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C11H19N3O2/c1-8(15)4-3-5-13-11(16)10-6-9(12)7-14(10)2/h6-8,15H,3-5,12H2,1-2H3,(H,13,16)
InChIKeyJZZAESDNBURFMV-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.50
Rot. Bonds5

About 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide (PubChem CID 106118881) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
PubChem CID106118881
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
SMILESCC(O)CCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C11H19N3O2/c1-8(15)4-3-5-13-11(16)10-6-9(12)7-14(10)2/h6-8,15H,3-5,12H2,1-2H3,(H,13,16)
InChIKeyJZZAESDNBURFMV-UHFFFAOYSA-N
XLogP0.50
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
CID 62636568
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-chloro-N-(4-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 106120396
4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 65103767

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide (CID 106118881) is 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide is CC(O)CCCNC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is JZZAESDNBURFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(15)4-3-5-13-11(16)10-6-9(12)7-14(10)2/h6-8,15H,3-5,12H2,1-2H3,(H,13,16).
What are the key properties of 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 106118881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).