4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C12H21N3O2 — CID 43642719

IUPAC4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOCC(C)NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C12H21N3O2/c1-8(2)15-6-10(13)5-11(15)12(16)14-9(3)7-17-4/h5-6,8-9H,7,13H2,1-4H3,(H,14,16)
InChIKeyPFYPJNMFJXESFR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.42
Rot. Bonds5

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

4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43642719) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43642719
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOCC(C)NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C12H21N3O2/c1-8(2)15-6-10(13)5-11(15)12(16)14-9(3)7-17-4/h5-6,8-9H,7,13H2,1-4H3,(H,14,16)
InChIKeyPFYPJNMFJXESFR-UHFFFAOYSA-N
XLogP1.42
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-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

[3-oxo-3-(propan-2-ylamino)propyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62626979
4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 106182879
4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106281034
5-(4-methoxybutan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611438
4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 43643647
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62636228
4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 113264472
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61141048
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61488139

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43642719) is 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is COCC(C)NC(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is PFYPJNMFJXESFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)15-6-10(13)5-11(15)12(16)14-9(3)7-17-4/h5-6,8-9H,7,13H2,1-4H3,(H,14,16).
What are the key properties of 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43642719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).