4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide

C16H22N4O — CID 43644133

IUPAC4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-11(2)20-10-12(17)9-15(20)16(21)18-13-5-7-14(8-6-13)19(3)4/h5-11H,17H2,1-4H3,(H,18,21)
InChIKeyBFYVAUDZAOLCEQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.97
Rot. Bonds4

About 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43644133) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43644133
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-11(2)20-10-12(17)9-15(20)16(21)18-13-5-7-14(8-6-13)19(3)4/h5-11H,17H2,1-4H3,(H,18,21)
InChIKeyBFYVAUDZAOLCEQ-UHFFFAOYSA-N
XLogP2.97
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-amino-N-[4-(dimethylamino)phenyl]-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

4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide
CID 43643274
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79042631
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62636228
4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641885
4-amino-N-(2,6-dichloro-4-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 83077744
4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63564434

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 43644133) is 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is BFYVAUDZAOLCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)20-10-12(17)9-15(20)16(21)18-13-5-7-14(8-6-13)19(3)4/h5-11H,17H2,1-4H3,(H,18,21).
What are the key properties of 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43644133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).