N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide

C13H23N3O — CID 79105677

IUPACN-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
SMILESCCC(NC)c1ccn(CCCC(=O)NC)c1
InChIInChI=1S/C13H23N3O/c1-4-12(14-2)11-7-9-16(10-11)8-5-6-13(17)15-3/h7,9-10,12,14H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyIZAQKPGADJAISP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.68
Rot. Bonds7

About N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide

N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide (PubChem CID 79105677) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
PubChem CID79105677
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
SMILESCCC(NC)c1ccn(CCCC(=O)NC)c1
InChIInChI=1S/C13H23N3O/c1-4-12(14-2)11-7-9-16(10-11)8-5-6-13(17)15-3/h7,9-10,12,14H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyIZAQKPGADJAISP-UHFFFAOYSA-N
XLogP1.68
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
CID 79105157
methyl 4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanoate
CID 79104624
4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide
CID 79104597
4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
CID 79102812
N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide
CID 79098745
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109894
N-(cyanomethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79105228
3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109897
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79105506
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 79105588
N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79105595

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide?
The IUPAC name of N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide (CID 79105677) is N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide.
What is the SMILES notation for N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide?
The canonical SMILES for N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide is CCC(NC)c1ccn(CCCC(=O)NC)c1.
What is the InChIKey of N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide?
The InChIKey is IZAQKPGADJAISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12(14-2)11-7-9-16(10-11)8-5-6-13(17)15-3/h7,9-10,12,14H,4-6,8H2,1-3H3,(H,15,17).
What are the key properties of N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide?
N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide has a molecular weight of 237.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide is sourced from PubChem (CID 79105677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).