3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide

C17H19N3O2 — CID 99697550

IUPAC3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1
InChIInChI=1S/C17H19N3O2/c1-22-15-6-4-5-13(11-15)17(21)19-14-8-10-20(12-14)16-7-2-3-9-18-16/h2-7,9,11,14H,8,10,12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyXDHGGCKBHALLKY-CQSZACIVSA-N
MW297.36 g/mol
LogP2.10
Rot. Bonds4

About 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide

3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 99697550) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
PubChem CID99697550
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1
InChIInChI=1S/C17H19N3O2/c1-22-15-6-4-5-13(11-15)17(21)19-14-8-10-20(12-14)16-7-2-3-9-18-16/h2-7,9,11,14H,8,10,12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyXDHGGCKBHALLKY-CQSZACIVSA-N
XLogP2.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 75494317
2-methyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 99875636
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methoxybenzamide
CID 91888027
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 99715119
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide (CID 99697550) is 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide is COc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1.
What is the InChIKey of 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is XDHGGCKBHALLKY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15-6-4-5-13(11-15)17(21)19-14-8-10-20(12-14)16-7-2-3-9-18-16/h2-7,9,11,14H,8,10,12H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide?
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 99697550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).