4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid

C19H23N3O4 — CID 120532367

IUPAC4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C19H23N3O4/c1-19(13-26-3,11-17(23)24)21-18(25)14-9-10-16(20-12-14)22(2)15-7-5-4-6-8-15/h4-10,12H,11,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyQGFJQMNWEITGMY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.46
Rot. Bonds8

About 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid

4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid (PubChem CID 120532367) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
PubChem CID120532367
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C19H23N3O4/c1-19(13-26-3,11-17(23)24)21-18(25)14-9-10-16(20-12-14)22(2)15-7-5-4-6-8-15/h4-10,12H,11,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyQGFJQMNWEITGMY-UHFFFAOYSA-N
XLogP2.46
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 120532280
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
3-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonylamino)-4-methoxy-3-methylbutanoic acid
CID 120532233
methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate
CID 112830437
3-[(5-bromopyridine-2-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532186
4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 120532284
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830639
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid (CID 120532367) is 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid is COCC(C)(CC(=O)O)NC(=O)c1ccc(N(C)c2ccccc2)nc1.
What is the InChIKey of 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
The InChIKey is QGFJQMNWEITGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(13-26-3,11-17(23)24)21-18(25)14-9-10-16(20-12-14)22(2)15-7-5-4-6-8-15/h4-10,12H,11,13H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid?
4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120532367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).