3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide

C17H19N3O — CID 95813262

IUPAC3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
SMILESCN1CCC[C@@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C17H19N3O/c1-20-9-3-6-16(20)15-8-7-14(11-19-15)12-4-2-5-13(10-12)17(18)21/h2,4-5,7-8,10-11,16H,3,6,9H2,1H3,(H2,18,21)/t16-/m1/s1
InChIKeyZBKJARRUDTWKMB-MRXNPFEDSA-N
MW281.36 g/mol
LogP2.61
Rot. Bonds3

About 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide

3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide (PubChem CID 95813262) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
PubChem CID95813262
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
SMILESCN1CCC[C@@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C17H19N3O/c1-20-9-3-6-16(20)15-8-7-14(11-19-15)12-4-2-5-13(10-12)17(18)21/h2,4-5,7-8,10-11,16H,3,6,9H2,1H3,(H2,18,21)/t16-/m1/s1
InChIKeyZBKJARRUDTWKMB-MRXNPFEDSA-N
XLogP2.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 92617018
3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 110263783
3-[6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-3-pyridinyl]benzamide
CID 110263833
3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615475
3-[6-(1-acetylpiperidin-3-yl)-3-pyridinyl]benzoic acid
CID 110112133
3-[6-[(3R)-1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]-3-pyridinyl]benzamide
CID 125005203
3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide
CID 127250335
4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124987095
3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 124985271
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615481
3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615480

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide (CID 95813262) is 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide is CN1CCC[C@@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1.
What is the InChIKey of 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide?
The InChIKey is ZBKJARRUDTWKMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20-9-3-6-16(20)15-8-7-14(11-19-15)12-4-2-5-13(10-12)17(18)21/h2,4-5,7-8,10-11,16H,3,6,9H2,1H3,(H2,18,21)/t16-/m1/s1.
What are the key properties of 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide?
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 95813262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).