5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide

C13H20N2O2 — CID 47031083

IUPAC5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)N2CCCC2)o1
InChIInChI=1S/C13H20N2O2/c1-10(15-7-3-4-8-15)9-14-13(16)12-6-5-11(2)17-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyYZDSMKWXCMMDNL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.80
Rot. Bonds4

About 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide

5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide (PubChem CID 47031083) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide
PubChem CID47031083
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)N2CCCC2)o1
InChIInChI=1S/C13H20N2O2/c1-10(15-7-3-4-8-15)9-14-13(16)12-6-5-11(2)17-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyYZDSMKWXCMMDNL-UHFFFAOYSA-N
XLogP1.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
N-[(2R)-2-(dimethylamino)propyl]-5-methylfuran-2-carboxamide
CID 94096526
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
2-(4-ethoxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 112502322
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 79035923

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide (CID 47031083) is 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide is Cc1ccc(C(=O)NCC(C)N2CCCC2)o1.
What is the InChIKey of 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide?
The InChIKey is YZDSMKWXCMMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(15-7-3-4-8-15)9-14-13(16)12-6-5-11(2)17-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16).
What are the key properties of 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide?
5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 47031083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).