N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide

C17H27N3O3 — CID 125166646

IUPACN,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide
SMILESC[C@@H](CCC(=O)NCc1ccc(C(=O)N(C)C)o1)N1CCCC1
InChIInChI=1S/C17H27N3O3/c1-13(20-10-4-5-11-20)6-9-16(21)18-12-14-7-8-15(23-14)17(22)19(2)3/h7-8,13H,4-6,9-12H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyOJAQROINQAWCIQ-ZDUSSCGKSA-N
MW321.42 g/mol
LogP1.86
Rot. Bonds7

About N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide

N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide (PubChem CID 125166646) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide
PubChem CID125166646
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide
SMILESC[C@@H](CCC(=O)NCc1ccc(C(=O)N(C)C)o1)N1CCCC1
InChIInChI=1S/C17H27N3O3/c1-13(20-10-4-5-11-20)6-9-16(21)18-12-14-7-8-15(23-14)17(22)19(2)3/h7-8,13H,4-6,9-12H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyOJAQROINQAWCIQ-ZDUSSCGKSA-N
XLogP1.86
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide
CID 154905765
N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
CID 125163780
N-[2-(dimethylamino)-2-oxoethyl]-4-pyrrolidin-1-ylpentanamide
CID 131892803
5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 134706242
N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
CID 126431945
(4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-morpholin-4-ylpentanamide
CID 124753245
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126453026
1-(2-amino-2-oxoethyl)-N-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]piperidine-3-carboxamide
CID 131937690
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
(4R)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126435440
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 136607695
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide (CID 125166646) is N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide is C[C@@H](CCC(=O)NCc1ccc(C(=O)N(C)C)o1)N1CCCC1.
What is the InChIKey of N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide?
The InChIKey is OJAQROINQAWCIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13(20-10-4-5-11-20)6-9-16(21)18-12-14-7-8-15(23-14)17(22)19(2)3/h7-8,13H,4-6,9-12H2,1-3H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide?
N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 125166646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).