4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide

C11H19N3O — CID 106813362

IUPAC4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C11H19N3O/c1-9(12)3-4-11(15)13-7-10-5-6-14(2)8-10/h5-6,8-9H,3-4,7,12H2,1-2H3,(H,13,15)
InChIKeyCOYOSXBZAWHMHR-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.77
Rot. Bonds5

About 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide

4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide (PubChem CID 106813362) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
PubChem CID106813362
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C11H19N3O/c1-9(12)3-4-11(15)13-7-10-5-6-14(2)8-10/h5-6,8-9H,3-4,7,12H2,1-2H3,(H,13,15)
InChIKeyCOYOSXBZAWHMHR-UHFFFAOYSA-N
XLogP0.77
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide
CID 106390854
N-[(1-methylpyrrol-3-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114182663
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 106390787
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 83621902
2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103943197
ethyl 4-[(4-aminopentanoylamino)methyl]benzoate
CID 120561148
2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103721962

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide (CID 106813362) is 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide is CC(N)CCC(=O)NCc1ccn(C)c1.
What is the InChIKey of 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide?
The InChIKey is COYOSXBZAWHMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(12)3-4-11(15)13-7-10-5-6-14(2)8-10/h5-6,8-9H,3-4,7,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide?
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide has a molecular weight of 209.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide is sourced from PubChem (CID 106813362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).