ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate

C20H34N2O2 — CID 19032574

IUPACethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCCCCCCCC(C)Nc1cc(C)nc(C)c1C(=O)OCC
InChIInChI=1S/C20H34N2O2/c1-6-8-9-10-11-12-13-15(3)22-18-14-16(4)21-17(5)19(18)20(23)24-7-2/h14-15H,6-13H2,1-5H3,(H,21,22)
InChIKeyUKKFGBQQOCJLDF-UHFFFAOYSA-N
MW334.50 g/mol
LogP5.43
Rot. Bonds11

About ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate

ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 19032574) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate
PubChem CID19032574
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Nameethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCCCCCCCC(C)Nc1cc(C)nc(C)c1C(=O)OCC
InChIInChI=1S/C20H34N2O2/c1-6-8-9-10-11-12-13-15(3)22-18-14-16(4)21-17(5)19(18)20(23)24-7-2/h14-15H,6-13H2,1-5H3,(H,21,22)
InChIKeyUKKFGBQQOCJLDF-UHFFFAOYSA-N
XLogP5.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-bromo-4-(octan-2-ylamino)benzoate
CID 63431032
ethyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 115545216
ethyl 2-(hexan-2-ylamino)benzoate
CID 43774647
2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline
CID 63451459
ethyl 2-(heptan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526761
methyl 4-methyl-3-(octan-2-ylamino)benzoate
CID 43680521
3-methyl-4-(nonan-2-ylamino)benzoic acid
CID 43736082
ethyl 2-amino-5-(heptan-2-ylamino)benzoate
CID 63423299
N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline
CID 63450885
4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide
CID 81051498
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81051442
methyl 2-(heptan-2-ylamino)-5-methylbenzoate
CID 43679128

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate (CID 19032574) is ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate is CCCCCCCCC(C)Nc1cc(C)nc(C)c1C(=O)OCC.
What is the InChIKey of ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is UKKFGBQQOCJLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-6-8-9-10-11-12-13-15(3)22-18-14-16(4)21-17(5)19(18)20(23)24-7-2/h14-15H,6-13H2,1-5H3,(H,21,22).
What are the key properties of ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate?
ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 334.50 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 19032574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).