ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate

C23H32N2O3 — CID 154682760

IUPACethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(CC)CC)cc(C)nc1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C23H32N2O3/c1-8-18(9-2)25-19-13-17(7)24-22(20(19)23(26)27-10-3)28-21-15(5)11-14(4)12-16(21)6/h11-13,18H,8-10H2,1-7H3,(H,24,25)
InChIKeyAYYKBRCAFQJSKI-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.88
Rot. Bonds8

About ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate

ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate (PubChem CID 154682760) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
PubChem CID154682760
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Nameethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(CC)CC)cc(C)nc1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C23H32N2O3/c1-8-18(9-2)25-19-13-17(7)24-22(20(19)23(26)27-10-3)28-21-15(5)11-14(4)12-16(21)6/h11-13,18H,8-10H2,1-7H3,(H,24,25)
InChIKeyAYYKBRCAFQJSKI-UHFFFAOYSA-N
XLogP5.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate
CID 24806876
methyl 5-(1-hydroxybutan-2-ylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 151783478
2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide
CID 86584332
N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
CID 22603175
2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid
CID 141037315
4-(3-deuteriopentan-3-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 56980443
ethyl 2-(2-fluoro-4,6-dimethylphenoxy)-4-formylpyridine-3-carboxylate
CID 90167369
ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate
CID 19032574
methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate
CID 24806260
6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
CID 22291304
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
3,6-dimethyl-1-pentan-3-yl-4-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
CID 22253373

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate (CID 154682760) is ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate is CCOC(=O)c1c(NC(CC)CC)cc(C)nc1Oc1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
The InChIKey is AYYKBRCAFQJSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-8-18(9-2)25-19-13-17(7)24-22(20(19)23(26)27-10-3)28-21-15(5)11-14(4)12-16(21)6/h11-13,18H,8-10H2,1-7H3,(H,24,25).
What are the key properties of ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate has a molecular weight of 384.52 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 154682760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).