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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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).