4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide

C13H23N3O2 — CID 113495460

IUPAC4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCCC(O)CNC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C13H23N3O2/c1-4-5-11(17)7-15-13(18)12-6-10(14)8-16(12)9(2)3/h6,8-9,11,17H,4-5,7,14H2,1-3H3,(H,15,18)
InChIKeyAAUAFHFSWMLKQW-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.54
Rot. Bonds6

About 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 113495460) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID113495460
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCCC(O)CNC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C13H23N3O2/c1-4-5-11(17)7-15-13(18)12-6-10(14)8-16(12)9(2)3/h6,8-9,11,17H,4-5,7,14H2,1-3H3,(H,15,18)
InChIKeyAAUAFHFSWMLKQW-UHFFFAOYSA-N
XLogP1.54
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 113495460) is 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide is CCCC(O)CNC(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is AAUAFHFSWMLKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-11(17)7-15-13(18)12-6-10(14)8-16(12)9(2)3/h6,8-9,11,17H,4-5,7,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 113495460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).