N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

C19H21N3O3 — CID 136587839

IUPACN-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1C[C@@H](Cc2ccccc2)[C@H](O)C1)c1cccnc1
InChIInChI=1S/C19H21N3O3/c23-17-13-22(12-16(17)9-14-5-2-1-3-6-14)18(24)11-21-19(25)15-7-4-8-20-10-15/h1-8,10,16-17,23H,9,11-13H2,(H,21,25)/t16-,17-/m1/s1
InChIKeyQBXYJOKAJLJEMT-IAGOWNOFSA-N
MW339.40 g/mol
LogP0.87
Rot. Bonds5

About N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 136587839) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID136587839
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1C[C@@H](Cc2ccccc2)[C@H](O)C1)c1cccnc1
InChIInChI=1S/C19H21N3O3/c23-17-13-22(12-16(17)9-14-5-2-1-3-6-14)18(24)11-21-19(25)15-7-4-8-20-10-15/h1-8,10,16-17,23H,9,11-13H2,(H,21,25)/t16-,17-/m1/s1
InChIKeyQBXYJOKAJLJEMT-IAGOWNOFSA-N
XLogP0.87
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide;cyclopropylbenzene
CID 171631390
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(pyridin-3-ylamino)ethanone
CID 155492000
[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124793902
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
CID 136587831
N-[2-[(3S,4S)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 118788245
N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 75473473
1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-3-methoxypropan-1-one
CID 124798783
benzyl N-[2-(3-ethyl-4-hydroxypyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 59347253
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (CID 136587839) is N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is O=C(NCC(=O)N1C[C@@H](Cc2ccccc2)[C@H](O)C1)c1cccnc1.
What is the InChIKey of N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is QBXYJOKAJLJEMT-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17-13-22(12-16(17)9-14-5-2-1-3-6-14)18(24)11-21-19(25)15-7-4-8-20-10-15/h1-8,10,16-17,23H,9,11-13H2,(H,21,25)/t16-,17-/m1/s1.
What are the key properties of N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 136587839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).