methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate

C21H22N2O2 — CID 67851168

IUPACmethyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC(C)=CC1c1ccc(-c2ccc(C)cc2)nc1
InChIInChI=1S/C21H22N2O2/c1-13-5-7-16(8-6-13)19-10-9-17(12-22-19)18-11-14(2)23-15(3)20(18)21(24)25-4/h5-12,18,23H,1-4H3
InChIKeyMKRYFIMUBHPDPD-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.09
Rot. Bonds3

About methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate

methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate (PubChem CID 67851168) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate
PubChem CID67851168
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Namemethyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC(C)=CC1c1ccc(-c2ccc(C)cc2)nc1
InChIInChI=1S/C21H22N2O2/c1-13-5-7-16(8-6-13)19-10-9-17(12-22-19)18-11-14(2)23-15(3)20(18)21(24)25-4/h5-12,18,23H,1-4H3
InChIKeyMKRYFIMUBHPDPD-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate (CID 67851168) is methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate is COC(=O)C1=C(C)NC(C)=CC1c1ccc(-c2ccc(C)cc2)nc1.
What is the InChIKey of methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate?
The InChIKey is MKRYFIMUBHPDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-5-7-16(8-6-13)19-10-9-17(12-22-19)18-11-14(2)23-15(3)20(18)21(24)25-4/h5-12,18,23H,1-4H3.
What are the key properties of methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate?
methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethyl-4-[6-(4-methylphenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 67851168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).