pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate

C24H26N2O2 — CID 141115027

IUPACpyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate
SMILESCCCCc1cc(-c2ccc(C)cc2)c(C(=O)OCc2ccncc2)c(C)n1
InChIInChI=1S/C24H26N2O2/c1-4-5-6-21-15-22(20-9-7-17(2)8-10-20)23(18(3)26-21)24(27)28-16-19-11-13-25-14-12-19/h7-15H,4-6,16H2,1-3H3
InChIKeyFSGUOPYMFAHNBS-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.46
Rot. Bonds7

About pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate

pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate (PubChem CID 141115027) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namepyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate
PubChem CID141115027
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Namepyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate
SMILESCCCCc1cc(-c2ccc(C)cc2)c(C(=O)OCc2ccncc2)c(C)n1
InChIInChI=1S/C24H26N2O2/c1-4-5-6-21-15-22(20-9-7-17(2)8-10-20)23(18(3)26-21)24(27)28-16-19-11-13-25-14-12-19/h7-15H,4-6,16H2,1-3H3
InChIKeyFSGUOPYMFAHNBS-UHFFFAOYSA-N
XLogP5.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate?
The IUPAC name of pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate (CID 141115027) is pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate?
The canonical SMILES for pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate is CCCCc1cc(-c2ccc(C)cc2)c(C(=O)OCc2ccncc2)c(C)n1.
What is the InChIKey of pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate?
The InChIKey is FSGUOPYMFAHNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-5-6-21-15-22(20-9-7-17(2)8-10-20)23(18(3)26-21)24(27)28-16-19-11-13-25-14-12-19/h7-15H,4-6,16H2,1-3H3.
What are the key properties of pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate?
pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 141115027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).