4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide

C14H25N3O2 — CID 106152159

IUPAC4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCCC(C)CO
InChIInChI=1S/C14H25N3O2/c1-3-7-17-9-12(15)8-13(17)14(19)16-6-4-5-11(2)10-18/h8-9,11,18H,3-7,10,15H2,1-2H3,(H,16,19)
InChIKeyKSCFVKYBZFOYAO-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.62
Rot. Bonds8

About 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide

4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide (PubChem CID 106152159) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
PubChem CID106152159
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCCC(C)CO
InChIInChI=1S/C14H25N3O2/c1-3-7-17-9-12(15)8-13(17)14(19)16-6-4-5-11(2)10-18/h8-9,11,18H,3-7,10,15H2,1-2H3,(H,16,19)
InChIKeyKSCFVKYBZFOYAO-UHFFFAOYSA-N
XLogP1.62
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.62
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-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106332688
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 63294148
4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425327
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61208494
N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
CID 103862125
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106180191
4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 103862250
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 65049794
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106152436

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide (CID 106152159) is 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCCCC(C)CO.
What is the InChIKey of 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is KSCFVKYBZFOYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-7-17-9-12(15)8-13(17)14(19)16-6-4-5-11(2)10-18/h8-9,11,18H,3-7,10,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106152159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).