N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide

C12H19N3O2 — CID 141062283

IUPACN-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide
SMILESCc1cn(C=O)c(C)c1C(=O)NCCN(C)C
InChIInChI=1S/C12H19N3O2/c1-9-7-15(8-16)10(2)11(9)12(17)13-5-6-14(3)4/h7-8H,5-6H2,1-4H3,(H,13,17)
InChIKeyXJLVCPYGQPCTTJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.43
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide (PubChem CID 141062283) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide
PubChem CID141062283
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide
SMILESCc1cn(C=O)c(C)c1C(=O)NCCN(C)C
InChIInChI=1S/C12H19N3O2/c1-9-7-15(8-16)10(2)11(9)12(17)13-5-6-14(3)4/h7-8H,5-6H2,1-4H3,(H,13,17)
InChIKeyXJLVCPYGQPCTTJ-UHFFFAOYSA-N
XLogP0.43
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-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

N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
CID 171383887
N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 54380946
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
2-[4-(dimethylamino)butylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429022
2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500660
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
4-[(2-chloroacetyl)amino]-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
CID 10409331
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 42818135

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide (CID 141062283) is N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide is Cc1cn(C=O)c(C)c1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide?
The InChIKey is XJLVCPYGQPCTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-15(8-16)10(2)11(9)12(17)13-5-6-14(3)4/h7-8H,5-6H2,1-4H3,(H,13,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 141062283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).