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

C19H23N3O2 — CID 122028928

IUPAC3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
SMILESCc1cccc(NCC2CCN(Cc3cccc(C(=O)O)c3)C2)n1
InChIInChI=1S/C19H23N3O2/c1-14-4-2-7-18(21-14)20-11-16-8-9-22(13-16)12-15-5-3-6-17(10-15)19(23)24/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,21)(H,23,24)
InChIKeyUAYUYXOHWHYPIY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.02
Rot. Bonds6

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

3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid (PubChem CID 122028928) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
PubChem CID122028928
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
SMILESCc1cccc(NCC2CCN(Cc3cccc(C(=O)O)c3)C2)n1
InChIInChI=1S/C19H23N3O2/c1-14-4-2-7-18(21-14)20-11-16-8-9-22(13-16)12-15-5-3-6-17(10-15)19(23)24/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,21)(H,23,24)
InChIKeyUAYUYXOHWHYPIY-UHFFFAOYSA-N
XLogP3.02
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 97225711
6-methyl-N-[[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595699
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482531
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 124556492
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 95143523
N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 131963797
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 86773957
3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110105906
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 120753086
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride
CID 120753085

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid?
The IUPAC name of 3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid (CID 122028928) is 3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid is Cc1cccc(NCC2CCN(Cc3cccc(C(=O)O)c3)C2)n1.
What is the InChIKey of 3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid?
The InChIKey is UAYUYXOHWHYPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-4-2-7-18(21-14)20-11-16-8-9-22(13-16)12-15-5-3-6-17(10-15)19(23)24/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,21)(H,23,24).
What are the key properties of 3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid?
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 122028928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).