1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide

C20H23N3O3 — CID 170954715

IUPAC1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccncc1-c1ccc(C(CO)NC(=O)C2CCCN2C=O)cc1
InChIInChI=1S/C20H23N3O3/c1-14-8-9-21-11-17(14)15-4-6-16(7-5-15)18(12-24)22-20(26)19-3-2-10-23(19)13-25/h4-9,11,13,18-19,24H,2-3,10,12H2,1H3,(H,22,26)
InChIKeyJFVKLJKEOVTIPM-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.83
Rot. Bonds6

About 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide

1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 170954715) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID170954715
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccncc1-c1ccc(C(CO)NC(=O)C2CCCN2C=O)cc1
InChIInChI=1S/C20H23N3O3/c1-14-8-9-21-11-17(14)15-4-6-16(7-5-15)18(12-24)22-20(26)19-3-2-10-23(19)13-25/h4-9,11,13,18-19,24H,2-3,10,12H2,1H3,(H,22,26)
InChIKeyJFVKLJKEOVTIPM-UHFFFAOYSA-N
XLogP1.83
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide
CID 170956165
N-[1-[4-(3-fluoro-2-pyridinyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide;3-methylbutan-2-amine
CID 170955994
1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 163393014
(2S)-N-[1-[4-(4-chloro-3-pyridinyl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-(4-iodoimidazol-1-yl)-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170955810
tert-butyl N-[1-[2-[[1-[4-(3-fluoro-4-pyridinyl)phenyl]-2-hydroxyethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 170955918
[(2S)-2-[[(2S)-1-formylpiperidine-2-carbonyl]amino]-2-phenylethyl] acetate
CID 71545477
(2S)-N-[(1R)-1-[4-(5-chloropyridazin-4-yl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-(dimethylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170955516
2,2-dimethylpropan-1-amine;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 142464569
1-(2-amino-3-methylbutanoyl)-N-[1-[4-(2-chloro-3-pyridinyl)phenyl]-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170956229
(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(1R)-1-[4-(1,6-didehydropyrimidin-1-ium-5-yl)phenyl]-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170955749
ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine
CID 142464684
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535598

Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 170954715) is 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide is Cc1ccncc1-c1ccc(C(CO)NC(=O)C2CCCN2C=O)cc1.
What is the InChIKey of 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JFVKLJKEOVTIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-8-9-21-11-17(14)15-4-6-16(7-5-15)18(12-24)22-20(26)19-3-2-10-23(19)13-25/h4-9,11,13,18-19,24H,2-3,10,12H2,1H3,(H,22,26).
What are the key properties of 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170954715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).