N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide

C22H27N3O3 — CID 167756186

IUPACN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C3CCCCC3)o2)c1
InChIInChI=1S/C22H27N3O3/c23-21(26)16-8-9-18(25-12-4-5-13-25)17(14-16)24-22(27)20-11-10-19(28-20)15-6-2-1-3-7-15/h8-11,14-15H,1-7,12-13H2,(H2,23,26)(H,24,27)
InChIKeyUMBSOBPACMMPQY-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.28
Rot. Bonds5

About N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide (PubChem CID 167756186) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
PubChem CID167756186
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C3CCCCC3)o2)c1
InChIInChI=1S/C22H27N3O3/c23-21(26)16-8-9-18(25-12-4-5-13-25)17(14-16)24-22(27)20-11-10-19(28-20)15-6-2-1-3-7-15/h8-11,14-15H,1-7,12-13H2,(H2,23,26)(H,24,27)
InChIKeyUMBSOBPACMMPQY-UHFFFAOYSA-N
XLogP4.28
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24653936
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
CID 138505426
3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 51112972
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
3-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 51631214
(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 120784950
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 41270353
3-[[(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41270258
5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 41269492
N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
CID 138505378

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide (CID 167756186) is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide is NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C3CCCCC3)o2)c1.
What is the InChIKey of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide?
The InChIKey is UMBSOBPACMMPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c23-21(26)16-8-9-18(25-12-4-5-13-25)17(14-16)24-22(27)20-11-10-19(28-20)15-6-2-1-3-7-15/h8-11,14-15H,1-7,12-13H2,(H2,23,26)(H,24,27).
What are the key properties of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide?
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide is sourced from PubChem (CID 167756186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).