3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide

C15H21N3O2 — CID 81090519

IUPAC3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCN3CCCC23)c1
InChIInChI=1S/C15H21N3O2/c1-20-12-8-10(7-11(16)9-12)15(19)17-13-4-6-18-5-2-3-14(13)18/h7-9,13-14H,2-6,16H2,1H3,(H,17,19)
InChIKeyIYMQNQQRGYQUAC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide

3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide (PubChem CID 81090519) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide
PubChem CID81090519
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCN3CCCC23)c1
InChIInChI=1S/C15H21N3O2/c1-20-12-8-10(7-11(16)9-12)15(19)17-13-4-6-18-5-2-3-14(13)18/h7-9,13-14H,2-6,16H2,1H3,(H,17,19)
InChIKeyIYMQNQQRGYQUAC-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.24
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-(2-methyloxolan-3-yl)benzamide
CID 82725612
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CID 81090332
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
CID 118772644
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide
CID 61258528
3-amino-5-methoxy-N-(thiolan-3-yl)benzamide
CID 103062202
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 81090911
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 81092770
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-sulfanylbenzamide
CID 107025894
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,6-dichloropyridine-4-carboxamide
CID 61041996
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzamide
CID 54967315
3-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79464819

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide (CID 81090519) is 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)NC2CCN3CCCC23)c1.
What is the InChIKey of 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide?
The InChIKey is IYMQNQQRGYQUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-12-8-10(7-11(16)9-12)15(19)17-13-4-6-18-5-2-3-14(13)18/h7-9,13-14H,2-6,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide?
3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide is sourced from PubChem (CID 81090519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).