N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide

C13H19N3O3 — CID 119631111

IUPACN-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCCC1CN
InChIInChI=1S/C13H19N3O3/c1-9(15-12(17)10-4-6-19-8-10)13(18)16-5-2-3-11(16)7-14/h4,6,8-9,11H,2-3,5,7,14H2,1H3,(H,15,17)
InChIKeyVYAZSVRUHUJFHH-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.35
Rot. Bonds4

About N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 119631111) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID119631111
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCCC1CN
InChIInChI=1S/C13H19N3O3/c1-9(15-12(17)10-4-6-19-8-10)13(18)16-5-2-3-11(16)7-14/h4,6,8-9,11H,2-3,5,7,14H2,1H3,(H,15,17)
InChIKeyVYAZSVRUHUJFHH-UHFFFAOYSA-N
XLogP0.35
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide
CID 51086592
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119634260
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119634053
2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
CID 129467141
N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide
CID 71940364
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 110918942
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119469184
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide (CID 119631111) is N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)N1CCCC1CN.
What is the InChIKey of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is VYAZSVRUHUJFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(15-12(17)10-4-6-19-8-10)13(18)16-5-2-3-11(16)7-14/h4,6,8-9,11H,2-3,5,7,14H2,1H3,(H,15,17).
What are the key properties of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 119631111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).