2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid

C19H23ClN2O4 — CID 141037315

IUPAC2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid
SMILESCCC(CC)Nc1cc(C)nc(Oc2ccc(Cl)cc2OC)c1C(=O)O
InChIInChI=1S/C19H23ClN2O4/c1-5-13(6-2)22-14-9-11(3)21-18(17(14)19(23)24)26-15-8-7-12(20)10-16(15)25-4/h7-10,13H,5-6H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyYEXXPLGEFXWSCH-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.14
Rot. Bonds8

About 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid

2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid (PubChem CID 141037315) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid
PubChem CID141037315
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid
SMILESCCC(CC)Nc1cc(C)nc(Oc2ccc(Cl)cc2OC)c1C(=O)O
InChIInChI=1S/C19H23ClN2O4/c1-5-13(6-2)22-14-9-11(3)21-18(17(14)19(23)24)26-15-8-7-12(20)10-16(15)25-4/h7-10,13H,5-6H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyYEXXPLGEFXWSCH-UHFFFAOYSA-N
XLogP5.14
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid with MolForge

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Related Compounds

methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate
CID 24806876
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678494
2-(2-methoxyphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678753
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
methyl 3-(4-chloro-2-methoxyphenoxy)-6-iodo-5-methylpyridazine-4-carboxylate
CID 167198513
4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053396
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 107668753
5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318
N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid (CID 141037315) is 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid is CCC(CC)Nc1cc(C)nc(Oc2ccc(Cl)cc2OC)c1C(=O)O.
What is the InChIKey of 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid?
The InChIKey is YEXXPLGEFXWSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-5-13(6-2)22-14-9-11(3)21-18(17(14)19(23)24)26-15-8-7-12(20)10-16(15)25-4/h7-10,13H,5-6H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid?
2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid has a molecular weight of 378.86 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 141037315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).