2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

C22H22N2O3 — CID 25187282

IUPAC2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCCOc1cccc(-c2cc(C)c(Nc3ccc(C)cc3C(=O)O)cn2)c1
InChIInChI=1S/C22H22N2O3/c1-4-27-17-7-5-6-16(12-17)20-11-15(3)21(13-23-20)24-19-9-8-14(2)10-18(19)22(25)26/h5-13,24H,4H2,1-3H3,(H,25,26)
InChIKeyMPVNLZRLXIKJFP-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.21
Rot. Bonds6

About 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 25187282) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID25187282
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCCOc1cccc(-c2cc(C)c(Nc3ccc(C)cc3C(=O)O)cn2)c1
InChIInChI=1S/C22H22N2O3/c1-4-27-17-7-5-6-16(12-17)20-11-15(3)21(13-23-20)24-19-9-8-14(2)10-18(19)22(25)26/h5-13,24H,4H2,1-3H3,(H,25,26)
InChIKeyMPVNLZRLXIKJFP-UHFFFAOYSA-N
XLogP5.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic 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

Zavondemstat
CID 118597685
3-({[(1r)-6-Methoxy-1,2,3,4-Tetrahydronaphthalen-1-Yl]methyl}amino)pyridine-4-Carboxylic Acid
CID 90253505
(2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carboxylate
CID 2904443
(3-Phenoxybenzoylamino)benzoic acid deriv., 24b
CID 11464013
3-(4-hydroxyphenyl)-N-(6-methoxypyridin-3-yl)benzamide
CID 2463899
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584
2-[(6-Butoxypyridin-3-yl)amino]-4-chlorobenzoic acid
CID 246853
3-(2-oxo-2H-chromen-3-yl)-N-(pyridin-3-yl)benzamide
CID 942378
5-[(3-Isopropoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571867
5-[(3-Isobutoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571868
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
3-[(6-Phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (CID 25187282) is 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is CCOc1cccc(-c2cc(C)c(Nc3ccc(C)cc3C(=O)O)cn2)c1.
What is the InChIKey of 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is MPVNLZRLXIKJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-4-27-17-7-5-6-16(12-17)20-11-15(3)21(13-23-20)24-19-9-8-14(2)10-18(19)22(25)26/h5-13,24H,4H2,1-3H3,(H,25,26).
What are the key properties of 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 362.43 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25187282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).