5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide

C26H30FN3O3 — CID 42787248

IUPAC5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)Nc2ccc(F)cc2)o1)C(=O)C1CCCC1
InChIInChI=1S/C26H30FN3O3/c1-2-15-30(26(32)19-6-3-4-7-19)17-22-8-5-16-29(22)18-23-13-14-24(33-23)25(31)28-21-11-9-20(27)10-12-21/h5,8-14,16,19H,2-4,6-7,15,17-18H2,1H3,(H,28,31)
InChIKeyHNHIKEFAWPEONS-UHFFFAOYSA-N
MW451.54 g/mol
LogP5.45
Rot. Bonds9

About 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide

5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 42787248) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID42787248
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)Nc2ccc(F)cc2)o1)C(=O)C1CCCC1
InChIInChI=1S/C26H30FN3O3/c1-2-15-30(26(32)19-6-3-4-7-19)17-22-8-5-16-29(22)18-23-13-14-24(33-23)25(31)28-21-11-9-20(27)10-12-21/h5,8-14,16,19H,2-4,6-7,15,17-18H2,1H3,(H,28,31)
InChIKeyHNHIKEFAWPEONS-UHFFFAOYSA-N
XLogP5.45
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.54
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 7495607
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42787232
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 7418269
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide
CID 7364523
N-[[1-[[5-(piperidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
CID 7265120
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42666179
N-[[1-[[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopentanecarboxamide
CID 42666140
N-benzyl-5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 42787082
5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-pentylfuran-2-carboxamide
CID 42787109
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42787222
1-[5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 42787098
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopentanecarboxamide
CID 3594954

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide (CID 42787248) is 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide is CCCN(Cc1cccn1Cc1ccc(C(=O)Nc2ccc(F)cc2)o1)C(=O)C1CCCC1.
What is the InChIKey of 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is HNHIKEFAWPEONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-2-15-30(26(32)19-6-3-4-7-19)17-22-8-5-16-29(22)18-23-13-14-24(33-23)25(31)28-21-11-9-20(27)10-12-21/h5,8-14,16,19H,2-4,6-7,15,17-18H2,1H3,(H,28,31).
What are the key properties of 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide?
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 451.54 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 42787248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).