3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid

C19H23N3O2 — CID 110105906

IUPAC3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
SMILESCNc1cc(C)nc(C2CCN(Cc3cccc(C(=O)O)c3)C2)c1
InChIInChI=1S/C19H23N3O2/c1-13-8-17(20-2)10-18(21-13)16-6-7-22(12-16)11-14-4-3-5-15(9-14)19(23)24/h3-5,8-10,16H,6-7,11-12H2,1-2H3,(H,20,21)(H,23,24)
InChIKeyLQUPOFMJLOXSFC-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.12
Rot. Bonds5

About 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid

3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid (PubChem CID 110105906) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
PubChem CID110105906
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
SMILESCNc1cc(C)nc(C2CCN(Cc3cccc(C(=O)O)c3)C2)c1
InChIInChI=1S/C19H23N3O2/c1-13-8-17(20-2)10-18(21-13)16-6-7-22(12-16)11-14-4-3-5-15(9-14)19(23)24/h3-5,8-10,16H,6-7,11-12H2,1-2H3,(H,20,21)(H,23,24)
InChIKeyLQUPOFMJLOXSFC-UHFFFAOYSA-N
XLogP3.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125003897
N,2-dimethyl-6-[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020309
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 124958456
3-[[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 122028920
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
1-[(3-carboxyphenyl)methyl]piperidine-4-carboxylic acid
CID 82162737
3-[[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]methyl]benzoic acid
CID 122029346
3-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]benzoic acid
CID 40801162
3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 118717670
3-[(4-hydroxy-3,3-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 112747193

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid?
The IUPAC name of 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid (CID 110105906) is 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid is CNc1cc(C)nc(C2CCN(Cc3cccc(C(=O)O)c3)C2)c1.
What is the InChIKey of 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid?
The InChIKey is LQUPOFMJLOXSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-8-17(20-2)10-18(21-13)16-6-7-22(12-16)11-14-4-3-5-15(9-14)19(23)24/h3-5,8-10,16H,6-7,11-12H2,1-2H3,(H,20,21)(H,23,24).
What are the key properties of 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid?
3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 110105906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).