4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide

C12H19N3O2 — CID 119430794

IUPAC4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
SMILESCNCCCNC(=O)c1cc(C(C)=O)cn1C
InChIInChI=1S/C12H19N3O2/c1-9(16)10-7-11(15(3)8-10)12(17)14-6-4-5-13-2/h7-8,13H,4-6H2,1-3H3,(H,14,17)
InChIKeyFWSWWYUMRGEMQP-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.57
Rot. Bonds6

About 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide

4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide (PubChem CID 119430794) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
PubChem CID119430794
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
SMILESCNCCCNC(=O)c1cc(C(C)=O)cn1C
InChIInChI=1S/C12H19N3O2/c1-9(16)10-7-11(15(3)8-10)12(17)14-6-4-5-13-2/h7-8,13H,4-6H2,1-3H3,(H,14,17)
InChIKeyFWSWWYUMRGEMQP-UHFFFAOYSA-N
XLogP0.57
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[3-(2-hydroxyethoxy)propyl]-1-methylpyrrole-2-carboxamide
CID 103993134
4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 86915188
4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 119391773
4-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538491
ethyl 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 47437604
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
CID 43409093
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride
CID 120832160
(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451
4-[(4-carbamoyl-1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 119352577
4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107845337

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide (CID 119430794) is 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide is CNCCCNC(=O)c1cc(C(C)=O)cn1C.
What is the InChIKey of 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide?
The InChIKey is FWSWWYUMRGEMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(16)10-7-11(15(3)8-10)12(17)14-6-4-5-13-2/h7-8,13H,4-6H2,1-3H3,(H,14,17).
What are the key properties of 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 119430794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).