2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid

C16H18N2O3 — CID 82735434

IUPAC2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid
SMILESCCc1cccnc1CNc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-3-11-5-4-8-17-15(11)10-18-14-9-12(21-2)6-7-13(14)16(19)20/h4-9,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyKFHHUBDLRKUNDJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.96
Rot. Bonds6

About 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid

2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid (PubChem CID 82735434) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid
PubChem CID82735434
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid
SMILESCCc1cccnc1CNc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-3-11-5-4-8-17-15(11)10-18-14-9-12(21-2)6-7-13(14)16(19)20/h4-9,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyKFHHUBDLRKUNDJ-UHFFFAOYSA-N
XLogP2.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic 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

4-bromo-2-[(3-ethyl-2-pyridinyl)methylamino]benzoic acid
CID 114907475
N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine
CID 114600732
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
2-[(3-ethyl-2-pyridinyl)methylamino]-3-methylbenzoic acid
CID 107112351
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297
1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82738742
2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid
CID 82754906
2-[(4-bromothiophen-2-yl)methylamino]-4-methoxybenzoic acid
CID 81308582
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
CID 82733532
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749
4-[(3-ethyl-2-pyridinyl)methylamino]-3,5-difluorobenzoic acid
CID 82737243
4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981695

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid (CID 82735434) is 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid is CCc1cccnc1CNc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid?
The InChIKey is KFHHUBDLRKUNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-11-5-4-8-17-15(11)10-18-14-9-12(21-2)6-7-13(14)16(19)20/h4-9,18H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid?
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid is sourced from PubChem (CID 82735434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).