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

C19H23N3O2 — CID 124571833

IUPAC3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
SMILESC[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C19H23N3O2/c1-13-10-14-4-2-3-5-17(14)22(13)12-15-7-9-24-18(15)19(23)21-16-6-8-20-11-16/h2-5,7,9,13,16,20H,6,8,10-12H2,1H3,(H,21,23)/t13-,16+/m0/s1
InChIKeyRCSWRONDVIZZCF-XJKSGUPXSA-N
MW325.41 g/mol
LogP2.32
Rot. Bonds4

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

3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 124571833) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID124571833
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
SMILESC[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C19H23N3O2/c1-13-10-14-4-2-3-5-17(14)22(13)12-15-7-9-24-18(15)19(23)21-16-6-8-20-11-16/h2-5,7,9,13,16,20H,6,8,10-12H2,1H3,(H,21,23)/t13-,16+/m0/s1
InChIKeyRCSWRONDVIZZCF-XJKSGUPXSA-N
XLogP2.32
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
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
2-[2-[[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526516
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide
CID 120890997
3-[(2-oxo-3H-indol-1-yl)methyl]-N-piperidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119425394
N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide
CID 97003727
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride
CID 119540326
(3S)-1-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 120514103
3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
CID 166378922
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone
CID 120807043
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide
CID 56560374
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452390
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide
CID 119868371

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide (CID 124571833) is 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 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@@H]1CCNC1.
What is the InChIKey of 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is RCSWRONDVIZZCF-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-10-14-4-2-3-5-17(14)22(13)12-15-7-9-24-18(15)19(23)21-16-6-8-20-11-16/h2-5,7,9,13,16,20H,6,8,10-12H2,1H3,(H,21,23)/t13-,16+/m0/s1.
What are the key properties of 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide?
3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 124571833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).