5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide

C25H30N4O3 — CID 42666179

IUPAC5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NCCc2ccccn2)o1)C(=O)C1CC1
InChIInChI=1S/C25H30N4O3/c1-2-15-29(25(31)19-8-9-19)17-21-7-5-16-28(21)18-22-10-11-23(32-22)24(30)27-14-12-20-6-3-4-13-26-20/h3-7,10-11,13,16,19H,2,8-9,12,14-15,17-18H2,1H3,(H,27,30)
InChIKeyMVKYSXFOUNFKGI-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.65
Rot. Bonds11

About 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide

5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide (PubChem CID 42666179) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
PubChem CID42666179
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NCCc2ccccn2)o1)C(=O)C1CC1
InChIInChI=1S/C25H30N4O3/c1-2-15-29(25(31)19-8-9-19)17-21-7-5-16-28(21)18-22-10-11-23(32-22)24(30)27-14-12-20-6-3-4-13-26-20/h3-7,10-11,13,16,19H,2,8-9,12,14-15,17-18H2,1H3,(H,27,30)
InChIKeyMVKYSXFOUNFKGI-UHFFFAOYSA-N
XLogP3.65
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide with MolForge

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Related Compounds

5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 7214416
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
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 7495607
5-[[2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]pyrrol-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42787349
N-[[1-[[5-(piperidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
CID 7265120
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-(4-fluorophenyl)furan-2-carboxamide
CID 42787248
5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide
CID 7289233
5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-pentylfuran-2-carboxamide
CID 42787109
N-(2-morpholin-4-ylethyl)-5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 7265561
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide (CID 42666179) is 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide is CCCN(Cc1cccn1Cc1ccc(C(=O)NCCc2ccccn2)o1)C(=O)C1CC1.
What is the InChIKey of 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide?
The InChIKey is MVKYSXFOUNFKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-2-15-29(25(31)19-8-9-19)17-21-7-5-16-28(21)18-22-10-11-23(32-22)24(30)27-14-12-20-6-3-4-13-26-20/h3-7,10-11,13,16,19H,2,8-9,12,14-15,17-18H2,1H3,(H,27,30).
What are the key properties of 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide?
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.65, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 42666179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).