N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide

C26H27N3O4 — CID 42166981

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(N3CCCC3=O)c2)cc1OC
InChIInChI=1S/C26H27N3O4/c1-32-23-11-10-19(14-24(23)33-2)17-28(18-20-6-4-12-27-16-20)26(31)21-7-3-8-22(15-21)29-13-5-9-25(29)30/h3-4,6-8,10-12,14-16H,5,9,13,17-18H2,1-2H3
InChIKeyITCCBPYEFZAXBM-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.07
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 42166981) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID42166981
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(N3CCCC3=O)c2)cc1OC
InChIInChI=1S/C26H27N3O4/c1-32-23-11-10-19(14-24(23)33-2)17-28(18-20-6-4-12-27-16-20)26(31)21-7-3-8-22(15-21)29-13-5-9-25(29)30/h3-4,6-8,10-12,14-16H,5,9,13,17-18H2,1-2H3
InChIKeyITCCBPYEFZAXBM-UHFFFAOYSA-N
XLogP4.07
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55773708
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 95967526
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
CID 55332539
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 86988033
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42277852
N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 45237714
N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 26342132
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
2-(3,4-dimethoxy-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 47078142

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 42166981) is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(N3CCCC3=O)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ITCCBPYEFZAXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-23-11-10-19(14-24(23)33-2)17-28(18-20-6-4-12-27-16-20)26(31)21-7-3-8-22(15-21)29-13-5-9-25(29)30/h3-4,6-8,10-12,14-16H,5,9,13,17-18H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 42166981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).