4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide

C12H21N3O3 — CID 106180191

IUPAC4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(CO)COC
InChIInChI=1S/C12H21N3O3/c1-3-4-15-6-9(13)5-11(15)12(17)14-10(7-16)8-18-2/h5-6,10,16H,3-4,7-8,13H2,1-2H3,(H,14,17)
InChIKeyLYQQVWADBAKHEB-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.22
Rot. Bonds7

About 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide

4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 106180191) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
PubChem CID106180191
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(CO)COC
InChIInChI=1S/C12H21N3O3/c1-3-4-15-6-9(13)5-11(15)12(17)14-10(7-16)8-18-2/h5-6,10,16H,3-4,7-8,13H2,1-2H3,(H,14,17)
InChIKeyLYQQVWADBAKHEB-UHFFFAOYSA-N
XLogP0.22
TPSA89.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61488139
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide
CID 61476569
4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61103337
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61314358
N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide
CID 106182939
4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
CID 62403049
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-1-propylpyrrole-2-carboxamide
CID 61246951
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide (CID 106180191) is 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NC(CO)COC.
What is the InChIKey of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is LYQQVWADBAKHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-4-15-6-9(13)5-11(15)12(17)14-10(7-16)8-18-2/h5-6,10,16H,3-4,7-8,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106180191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).