3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid

C19H22N2O3 — CID 122030447

IUPAC3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNCc2ccc(OC3CCCC3)nc2)c1
InChIInChI=1S/C19H22N2O3/c22-19(23)16-5-3-4-14(10-16)11-20-12-15-8-9-18(21-13-15)24-17-6-1-2-7-17/h3-5,8-10,13,17,20H,1-2,6-7,11-12H2,(H,22,23)
InChIKeySQADSXRVDVRMDS-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds7

About 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid

3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid (PubChem CID 122030447) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid
PubChem CID122030447
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNCc2ccc(OC3CCCC3)nc2)c1
InChIInChI=1S/C19H22N2O3/c22-19(23)16-5-3-4-14(10-16)11-20-12-15-8-9-18(21-13-15)24-17-6-1-2-7-17/h3-5,8-10,13,17,20H,1-2,6-7,11-12H2,(H,22,23)
InChIKeySQADSXRVDVRMDS-UHFFFAOYSA-N
XLogP3.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[2-(oxan-4-yloxy)-4-pyridinyl]methylamino]methyl]benzoic acid
CID 122031287
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
3-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251667
1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 166187417
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
3-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845585
3-[[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]methyl]benzoic acid
CID 122030312
4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 78890683
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 87005295
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
3-[[(2-hydroxy-1-methylcyclohexyl)methylamino]methyl]benzoic acid
CID 122031824

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid?
The IUPAC name of 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid (CID 122030447) is 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid?
The canonical SMILES for 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid is O=C(O)c1cccc(CNCc2ccc(OC3CCCC3)nc2)c1.
What is the InChIKey of 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid?
The InChIKey is SQADSXRVDVRMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(23)16-5-3-4-14(10-16)11-20-12-15-8-9-18(21-13-15)24-17-6-1-2-7-17/h3-5,8-10,13,17,20H,1-2,6-7,11-12H2,(H,22,23).
What are the key properties of 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid?
3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid has a molecular weight of 326.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid is sourced from PubChem (CID 122030447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).