N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide

C20H24N2O3 — CID 98891363

IUPACN-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide
SMILESCOc1cccc([C@H]2[C@@H](NC(=O)c3occc3C)CCN2C2CC2)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-11-25-19(13)20(23)21-17-8-10-22(15-6-7-15)18(17)14-4-3-5-16(12-14)24-2/h3-5,9,11-12,15,17-18H,6-8,10H2,1-2H3,(H,21,23)/t17-,18-/m0/s1
InChIKeyHVBRUKOZDQRHKE-ROUUACIJSA-N
MW340.42 g/mol
LogP3.30
Rot. Bonds5

About N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide

N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide (PubChem CID 98891363) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide
PubChem CID98891363
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide
SMILESCOc1cccc([C@H]2[C@@H](NC(=O)c3occc3C)CCN2C2CC2)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-11-25-19(13)20(23)21-17-8-10-22(15-6-7-15)18(17)14-4-3-5-16(12-14)24-2/h3-5,9,11-12,15,17-18H,6-8,10H2,1-2H3,(H,21,23)/t17-,18-/m0/s1
InChIKeyHVBRUKOZDQRHKE-ROUUACIJSA-N
XLogP3.30
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 75499007
N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 124616649
5-cyclopropyl-N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386462
N-[(2R,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 166408983
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide
CID 120705840
(2S,3S)-N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyloxolane-3-carboxamide
CID 97340503
(2R,3R)-N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyloxolane-3-carboxamide
CID 97340500
N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 97340499
(2S,3S)-1-cyclopropyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-methoxyphenyl)pyrrolidin-3-amine
CID 124852869
6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide
CID 133441721
5-chloro-6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 133441669
(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 98876721

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide (CID 98891363) is N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide is COc1cccc([C@H]2[C@@H](NC(=O)c3occc3C)CCN2C2CC2)c1.
What is the InChIKey of N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
The InChIKey is HVBRUKOZDQRHKE-ROUUACIJSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-9-11-25-19(13)20(23)21-17-8-10-22(15-6-7-15)18(17)14-4-3-5-16(12-14)24-2/h3-5,9,11-12,15,17-18H,6-8,10H2,1-2H3,(H,21,23)/t17-,18-/m0/s1.
What are the key properties of N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 98891363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).