5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide

C25H31N3O3 — CID 42787378

IUPAC5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NCC(C)C)o1)C(=O)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-4-14-28(25(30)20-9-6-5-7-10-20)17-21-11-8-15-27(21)18-22-12-13-23(31-22)24(29)26-16-19(2)3/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,26,29)
InChIKeyVNHFRYGIPYCXJP-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.57
Rot. Bonds10

About 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide

5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 42787378) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID42787378
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NCC(C)C)o1)C(=O)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-4-14-28(25(30)20-9-6-5-7-10-20)17-21-11-8-15-27(21)18-22-12-13-23(31-22)24(29)26-16-19(2)3/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,26,29)
InChIKeyVNHFRYGIPYCXJP-UHFFFAOYSA-N
XLogP4.57
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 42787082
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
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42787183
N-(3-methoxypropyl)-5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 7497847
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42787222
5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42787354
5-[[2-[[(4-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 42787157
N-[2-(2,4-dichlorophenyl)ethyl]-5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 42666142
4-methyl-N-propyl-N-[[1-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]benzamide
CID 42787126
N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 7214416

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 42787378) is 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide is CCCN(Cc1cccn1Cc1ccc(C(=O)NCC(C)C)o1)C(=O)c1ccccc1.
What is the InChIKey of 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is VNHFRYGIPYCXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-14-28(25(30)20-9-6-5-7-10-20)17-21-11-8-15-27(21)18-22-12-13-23(31-22)24(29)26-16-19(2)3/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,26,29).
What are the key properties of 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide?
5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 42787378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).