1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide

C19H21N3O3 — CID 75461254

IUPAC1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccnc2OCc2ccccc2)CC1=O
InChIInChI=1S/C19H21N3O3/c1-22-12-16(10-17(22)23)18(24)21-11-15-8-5-9-20-19(15)25-13-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3,(H,21,24)
InChIKeyHJZAENTYSMQKMC-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.76
Rot. Bonds6

About 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide

1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 75461254) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID75461254
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccnc2OCc2ccccc2)CC1=O
InChIInChI=1S/C19H21N3O3/c1-22-12-16(10-17(22)23)18(24)21-11-15-8-5-9-20-19(15)25-13-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3,(H,21,24)
InChIKeyHJZAENTYSMQKMC-UHFFFAOYSA-N
XLogP1.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 75461254) is 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide is CN1CC(C(=O)NCc2cccnc2OCc2ccccc2)CC1=O.
What is the InChIKey of 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is HJZAENTYSMQKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22-12-16(10-17(22)23)18(24)21-11-15-8-5-9-20-19(15)25-13-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3,(H,21,24).
What are the key properties of 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 75461254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).