N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide

C19H23N3O3 — CID 71992053

IUPACN-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
SMILESCn1cccc(NC(=O)N2CCC(COCc3ccccc3)C2)c1=O
InChIInChI=1S/C19H23N3O3/c1-21-10-5-8-17(18(21)23)20-19(24)22-11-9-16(12-22)14-25-13-15-6-3-2-4-7-15/h2-8,10,16H,9,11-14H2,1H3,(H,20,24)
InChIKeyOBYULIAJEGCUAR-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.46
Rot. Bonds5

About N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide

N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 71992053) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
PubChem CID71992053
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
SMILESCn1cccc(NC(=O)N2CCC(COCc3ccccc3)C2)c1=O
InChIInChI=1S/C19H23N3O3/c1-21-10-5-8-17(18(21)23)20-19(24)22-11-9-16(12-22)14-25-13-15-6-3-2-4-7-15/h2-8,10,16H,9,11-14H2,1H3,(H,20,24)
InChIKeyOBYULIAJEGCUAR-UHFFFAOYSA-N
XLogP2.46
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide (CID 71992053) is N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide is Cn1cccc(NC(=O)N2CCC(COCc3ccccc3)C2)c1=O.
What is the InChIKey of N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is OBYULIAJEGCUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-10-5-8-17(18(21)23)20-19(24)22-11-9-16(12-22)14-25-13-15-6-3-2-4-7-15/h2-8,10,16H,9,11-14H2,1H3,(H,20,24).
What are the key properties of N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3-pyridinyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71992053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).