N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide

C19H21N3O3 — CID 125146446

IUPACN-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide
SMILESCN(C(=O)c1occc1CN1C(=O)Cc2ccccc21)[C@H]1CCNC1
InChIInChI=1S/C19H21N3O3/c1-21(15-6-8-20-11-15)19(24)18-14(7-9-25-18)12-22-16-5-3-2-4-13(16)10-17(22)23/h2-5,7,9,15,20H,6,8,10-12H2,1H3/t15-/m0/s1
InChIKeyJUFGUJFEOIYJKQ-HNNXBMFYSA-N
MW339.39 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide

N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 125146446) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID125146446
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide
SMILESCN(C(=O)c1occc1CN1C(=O)Cc2ccccc21)[C@H]1CCNC1
InChIInChI=1S/C19H21N3O3/c1-21(15-6-8-20-11-15)19(24)18-14(7-9-25-18)12-22-16-5-3-2-4-13(16)10-17(22)23/h2-5,7,9,15,20H,6,8,10-12H2,1H3/t15-/m0/s1
InChIKeyJUFGUJFEOIYJKQ-HNNXBMFYSA-N
XLogP1.80
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
CID 124613664
3-[(2-oxo-3H-indol-1-yl)methyl]-N-piperidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119425394
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120944653
1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354664
1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 125146734
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119613936
1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119395775
1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
CID 119622525
1-[[2-[2-(hydroxymethyl)morpholine-4-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 154858387
1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 82239891
N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613864
3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
CID 124571833

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide (CID 125146446) is N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide is CN(C(=O)c1occc1CN1C(=O)Cc2ccccc21)[C@H]1CCNC1.
What is the InChIKey of N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is JUFGUJFEOIYJKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(15-6-8-20-11-15)19(24)18-14(7-9-25-18)12-22-16-5-3-2-4-13(16)10-17(22)23/h2-5,7,9,15,20H,6,8,10-12H2,1H3/t15-/m0/s1.
What are the key properties of N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide?
N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 125146446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).