1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

C19H21N3O4 — CID 75415776

IUPAC1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C19H21N3O4/c1-26-18-13(6-4-10-20-18)12-21-17(24)15-8-5-11-22(15)19(25)14-7-2-3-9-16(14)23/h2-4,6-7,9-10,15,23H,5,8,11-12H2,1H3,(H,21,24)
InChIKeyBECYRXJUBUWENS-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.72
Rot. Bonds5

About 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 75415776) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID75415776
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C19H21N3O4/c1-26-18-13(6-4-10-20-18)12-21-17(24)15-8-5-11-22(15)19(25)14-7-2-3-9-16(14)23/h2-4,6-7,9-10,15,23H,5,8,11-12H2,1H3,(H,21,24)
InChIKeyBECYRXJUBUWENS-UHFFFAOYSA-N
XLogP1.72
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 75415776) is 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is COc1ncccc1CNC(=O)C1CCCN1C(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BECYRXJUBUWENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-18-13(6-4-10-20-18)12-21-17(24)15-8-5-11-22(15)19(25)14-7-2-3-9-16(14)23/h2-4,6-7,9-10,15,23H,5,8,11-12H2,1H3,(H,21,24).
What are the key properties of 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75415776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).