3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide

C23H28N4O3 — CID 131635934

IUPAC3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(C(=O)NC3(C)CC3)c2)ccc1C1CNNC1
InChIInChI=1S/C23H28N4O3/c1-23(8-9-23)27-22(29)16-5-3-4-15(10-16)12-24-21(28)17-6-7-19(20(11-17)30-2)18-13-25-26-14-18/h3-7,10-11,18,25-26H,8-9,12-14H2,1-2H3,(H,24,28)(H,27,29)
InChIKeyCGYIYADDBOJUEN-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.10
Rot. Bonds7

About 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide

3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635934) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide
PubChem CID131635934
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(C(=O)NC3(C)CC3)c2)ccc1C1CNNC1
InChIInChI=1S/C23H28N4O3/c1-23(8-9-23)27-22(29)16-5-3-4-15(10-16)12-24-21(28)17-6-7-19(20(11-17)30-2)18-13-25-26-14-18/h3-7,10-11,18,25-26H,8-9,12-14H2,1-2H3,(H,24,28)(H,27,29)
InChIKeyCGYIYADDBOJUEN-UHFFFAOYSA-N
XLogP2.10
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635886
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(3-methylpyrazolidin-4-yl)benzamide
CID 131635937
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[[3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662965
N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635882
3-[[(4-methoxy-3-propan-2-ylbenzoyl)amino]methyl]benzoic acid
CID 167861012
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
CID 44819015
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide (CID 131635934) is 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2cccc(C(=O)NC3(C)CC3)c2)ccc1C1CNNC1.
What is the InChIKey of 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide?
The InChIKey is CGYIYADDBOJUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(8-9-23)27-22(29)16-5-3-4-15(10-16)12-24-21(28)17-6-7-19(20(11-17)30-2)18-13-25-26-14-18/h3-7,10-11,18,25-26H,8-9,12-14H2,1-2H3,(H,24,28)(H,27,29).
What are the key properties of 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide?
3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide has a molecular weight of 408.50 g/mol, XLogP of 2.10, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).