3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

C14H21N3O2 — CID 81089783

IUPAC3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCOc1cc(N)cc(C(=O)NCC2CCN(C)C2)c1
InChIInChI=1S/C14H21N3O2/c1-17-4-3-10(9-17)8-16-14(18)11-5-12(15)7-13(6-11)19-2/h5-7,10H,3-4,8-9,15H2,1-2H3,(H,16,18)
InChIKeyUJBLMWXVDQYYCT-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.96
Rot. Bonds4

About 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 81089783) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID81089783
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCOc1cc(N)cc(C(=O)NCC2CCN(C)C2)c1
InChIInChI=1S/C14H21N3O2/c1-17-4-3-10(9-17)8-16-14(18)11-5-12(15)7-13(6-11)19-2/h5-7,10H,3-4,8-9,15H2,1-2H3,(H,16,18)
InChIKeyUJBLMWXVDQYYCT-UHFFFAOYSA-N
XLogP0.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 81092770
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416341
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
3-amino-5-methoxy-N-(thiolan-2-ylmethyl)benzamide
CID 81091777
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 81089849
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (CID 81089783) is 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is COc1cc(N)cc(C(=O)NCC2CCN(C)C2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is UJBLMWXVDQYYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-4-3-10(9-17)8-16-14(18)11-5-12(15)7-13(6-11)19-2/h5-7,10H,3-4,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 81089783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).