2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid

C20H23N3O3 — CID 110107808

IUPAC2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
SMILESCC(=O)NCc1cccc(C2CCCN2Cc2ccccc2C(=O)O)n1
InChIInChI=1S/C20H23N3O3/c1-14(24)21-12-16-7-4-9-18(22-16)19-10-5-11-23(19)13-15-6-2-3-8-17(15)20(25)26/h2-4,6-9,19H,5,10-13H2,1H3,(H,21,24)(H,25,26)
InChIKeyNEEXOMDKENZSTI-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.75
Rot. Bonds6

About 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid

2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid (PubChem CID 110107808) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
PubChem CID110107808
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
SMILESCC(=O)NCc1cccc(C2CCCN2Cc2ccccc2C(=O)O)n1
InChIInChI=1S/C20H23N3O3/c1-14(24)21-12-16-7-4-9-18(22-16)19-10-5-11-23(19)13-15-6-2-3-8-17(15)20(25)26/h2-4,6-9,19H,5,10-13H2,1H3,(H,21,24)(H,25,26)
InChIKeyNEEXOMDKENZSTI-UHFFFAOYSA-N
XLogP2.75
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124968382
N-[[6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019695
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107831
N-[[6-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124996366
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124940019
N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095794
N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124974894
N-[[6-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095581
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258268
N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124964524

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid (CID 110107808) is 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid is CC(=O)NCc1cccc(C2CCCN2Cc2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid?
The InChIKey is NEEXOMDKENZSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(24)21-12-16-7-4-9-18(22-16)19-10-5-11-23(19)13-15-6-2-3-8-17(15)20(25)26/h2-4,6-9,19H,5,10-13H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid?
2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid has a molecular weight of 353.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 110107808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).