1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C25H27N3O3 — CID 78857113

IUPAC1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H27N3O3/c29-18(16-27-13-5-12-24(27)25(30)26-15-19-7-6-14-31-19)17-28-22-10-3-1-8-20(22)21-9-2-4-11-23(21)28/h1-4,6-11,14,18,24,29H,5,12-13,15-17H2,(H,26,30)
InChIKeyBSRQMVUTVZYKEH-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.53
Rot. Bonds7

About 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 78857113) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID78857113
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H27N3O3/c29-18(16-27-13-5-12-24(27)25(30)26-15-19-7-6-14-31-19)17-28-22-10-3-1-8-20(22)21-9-2-4-11-23(21)28/h1-4,6-11,14,18,24,29H,5,12-13,15-17H2,(H,26,30)
InChIKeyBSRQMVUTVZYKEH-UHFFFAOYSA-N
XLogP3.53
TPSA70.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 42885954
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774108
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857324
(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
CID 91644166
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958
1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 75438534
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300
(2R)-1-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38775077

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 78857113) is 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is BSRQMVUTVZYKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-18(16-27-13-5-12-24(27)25(30)26-15-19-7-6-14-31-19)17-28-22-10-3-1-8-20(22)21-9-2-4-11-23(21)28/h1-4,6-11,14,18,24,29H,5,12-13,15-17H2,(H,26,30).
What are the key properties of 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78857113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).