N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C15H28N4O2 — CID 119405501

IUPACN-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCCC1CN1CC(C(=O)NCCCN)CC1=O
InChIInChI=1S/C15H28N4O2/c1-2-18-8-3-5-13(18)11-19-10-12(9-14(19)20)15(21)17-7-4-6-16/h12-13H,2-11,16H2,1H3,(H,17,21)
InChIKeyZXHMQOBIGCVZNP-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.22
Rot. Bonds7

About N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 119405501) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID119405501
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCCC1CN1CC(C(=O)NCCCN)CC1=O
InChIInChI=1S/C15H28N4O2/c1-2-18-8-3-5-13(18)11-19-10-12(9-14(19)20)15(21)17-7-4-6-16/h12-13H,2-11,16H2,1H3,(H,17,21)
InChIKeyZXHMQOBIGCVZNP-UHFFFAOYSA-N
XLogP-0.22
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.22
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

1-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500643
N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119479811
N-[(2S)-1-aminopropan-2-yl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120507176
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168695738
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119534166
(2S)-2-[[(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 125120295
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one;dihydrochloride
CID 119662054
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124614714
(2R)-2-[[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363378
(2S)-2-[[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361052
(3S)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572012
(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572011

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 119405501) is N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN1CCCC1CN1CC(C(=O)NCCCN)CC1=O.
What is the InChIKey of N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZXHMQOBIGCVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-2-18-8-3-5-13(18)11-19-10-12(9-14(19)20)15(21)17-7-4-6-16/h12-13H,2-11,16H2,1H3,(H,17,21).
What are the key properties of N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 296.42 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119405501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).