N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide

C19H21N3O4 — CID 139004492

IUPACN-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2N2CCCC2=O)c(OC)n1
InChIInChI=1S/C19H21N3O4/c1-25-16-10-9-13(19(21-16)26-2)12-20-18(24)14-6-3-4-7-15(14)22-11-5-8-17(22)23/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3,(H,20,24)
InChIKeyCDMQJLKVXFEPMS-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.16
Rot. Bonds6

About N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide

N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 139004492) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID139004492
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2N2CCCC2=O)c(OC)n1
InChIInChI=1S/C19H21N3O4/c1-25-16-10-9-13(19(21-16)26-2)12-20-18(24)14-6-3-4-7-15(14)22-11-5-8-17(22)23/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3,(H,20,24)
InChIKeyCDMQJLKVXFEPMS-UHFFFAOYSA-N
XLogP2.16
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297068
4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134704
2,6-dimethoxy-N-(naphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 20969022
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297806
4-chloro-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 56524417
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133564
1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122014882

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 139004492) is N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(CNC(=O)c2ccccc2N2CCCC2=O)c(OC)n1.
What is the InChIKey of N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is CDMQJLKVXFEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-25-16-10-9-13(19(21-16)26-2)12-20-18(24)14-6-3-4-7-15(14)22-11-5-8-17(22)23/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 355.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 139004492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).