N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide

C20H25N3O2 — CID 124613664

IUPACN-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
SMILESC[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)[C@@H]1CCNC1
InChIInChI=1S/C20H25N3O2/c1-14-11-15-5-3-4-6-18(15)23(14)13-16-8-10-25-19(16)20(24)22(2)17-7-9-21-12-17/h3-6,8,10,14,17,21H,7,9,11-13H2,1-2H3/t14-,17+/m0/s1
InChIKeyJFSOKPLEJFGQRY-WMLDXEAASA-N
MW339.44 g/mol
LogP2.66
Rot. Bonds4

About N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide

N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 124613664) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID124613664
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
SMILESC[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)[C@@H]1CCNC1
InChIInChI=1S/C20H25N3O2/c1-14-11-15-5-3-4-6-18(15)23(14)13-16-8-10-25-19(16)20(24)22(2)17-7-9-21-12-17/h3-6,8,10,14,17,21H,7,9,11-13H2,1-2H3/t14-,17+/m0/s1
InChIKeyJFSOKPLEJFGQRY-WMLDXEAASA-N
XLogP2.66
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide
CID 125146446
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide
CID 120890997
2-[2-[[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526516
(3S)-1-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 120514103
2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid
CID 119346292
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride
CID 119540326
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone
CID 120807043
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 119921401
3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
CID 166378922
N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613864
(2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate
CID 56788723
N-(3-aminobutyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 119496457

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide (CID 124613664) is N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide is C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)[C@@H]1CCNC1.
What is the InChIKey of N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is JFSOKPLEJFGQRY-WMLDXEAASA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-11-15-5-3-4-6-18(15)23(14)13-16-8-10-25-19(16)20(24)22(2)17-7-9-21-12-17/h3-6,8,10,14,17,21H,7,9,11-13H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide?
N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 124613664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).