3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide

C16H23N3O2 — CID 81092770

IUPAC3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H23N3O2/c1-21-15-7-12(6-13(17)8-15)16(20)18-9-11-4-5-19(10-11)14-2-3-14/h6-8,11,14H,2-5,9-10,17H2,1H3,(H,18,20)
InChIKeyWHZAVXUGRJKRGW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.49
Rot. Bonds5

About 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide

3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide (PubChem CID 81092770) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
PubChem CID81092770
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H23N3O2/c1-21-15-7-12(6-13(17)8-15)16(20)18-9-11-4-5-19(10-11)14-2-3-14/h6-8,11,14H,2-5,9-10,17H2,1H3,(H,18,20)
InChIKeyWHZAVXUGRJKRGW-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.49
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-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81089783
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
3,5-dimethoxy-N-[[1-(thian-4-yl)piperidin-3-yl]methyl]benzamide
CID 45252489
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
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
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998447
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide?
The IUPAC name of 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide (CID 81092770) is 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide is COc1cc(N)cc(C(=O)NCC2CCN(C3CC3)C2)c1.
What is the InChIKey of 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide?
The InChIKey is WHZAVXUGRJKRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-15-7-12(6-13(17)8-15)16(20)18-9-11-4-5-19(10-11)14-2-3-14/h6-8,11,14H,2-5,9-10,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide?
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 81092770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).