N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide

C13H25N3O — CID 79383628

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCNC1C
InChIInChI=1S/C13H25N3O/c1-3-16-8-4-5-11(16)9-15-13(17)12-6-7-14-10(12)2/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyVLEHGQDIBFRTEJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.58
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79383628) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79383628
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCNC1C
InChIInChI=1S/C13H25N3O/c1-3-16-8-4-5-11(16)9-15-13(17)12-6-7-14-10(12)2/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyVLEHGQDIBFRTEJ-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 18072841
4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511391
cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 124740614
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 71899768
(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081585
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119828999
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
(2R,3S)-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 120940981
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide (CID 79383628) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide is CCN1CCCC1CNC(=O)C1CCNC1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is VLEHGQDIBFRTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-16-8-4-5-11(16)9-15-13(17)12-6-7-14-10(12)2/h10-12,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79383628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).