N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide

C18H21N3O3 — CID 128984722

IUPACN-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide
SMILESCCCc1occc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1
InChIInChI=1S/C18H21N3O3/c1-3-5-15-13(7-9-24-15)18(23)20-14-10-16(22)21(2)17(14)12-6-4-8-19-11-12/h4,6-9,11,14,17H,3,5,10H2,1-2H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyDPGVVAXKYRTTRY-PBHICJAKSA-N
MW327.38 g/mol
LogP2.33
Rot. Bonds5

About N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide

N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide (PubChem CID 128984722) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide
PubChem CID128984722
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide
SMILESCCCc1occc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1
InChIInChI=1S/C18H21N3O3/c1-3-5-15-13(7-9-24-15)18(23)20-14-10-16(22)21(2)17(14)12-6-4-8-19-11-12/h4,6-9,11,14,17H,3,5,10H2,1-2H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyDPGVVAXKYRTTRY-PBHICJAKSA-N
XLogP2.33
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide
CID 138013868
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(4R,5S)-4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;hydroiodide
CID 167938842
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
CID 167932575
(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 97027555
(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95967290
N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide
CID 84592707
2-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetic acid
CID 96597128

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide?
The IUPAC name of N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide (CID 128984722) is N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide.
What is the SMILES notation for N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide?
The canonical SMILES for N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide is CCCc1occc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1.
What is the InChIKey of N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide?
The InChIKey is DPGVVAXKYRTTRY-PBHICJAKSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-5-15-13(7-9-24-15)18(23)20-14-10-16(22)21(2)17(14)12-6-4-8-19-11-12/h4,6-9,11,14,17H,3,5,10H2,1-2H3,(H,20,23)/t14-,17+/m1/s1.
What are the key properties of N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide?
N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]-2-propylfuran-3-carboxamide is sourced from PubChem (CID 128984722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).