ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate

C21H22N2O3 — CID 19837076

IUPACethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N)NC(C)=C(Oc2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-3-25-21(24)18-17(15-10-6-4-7-11-15)19(14(2)23-20(18)22)26-16-12-8-5-9-13-16/h4-13,17,23H,3,22H2,1-2H3
InChIKeyURTBGKRWPCLRFP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.42
Rot. Bonds5

About ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate

ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 19837076) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate
PubChem CID19837076
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Nameethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N)NC(C)=C(Oc2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-3-25-21(24)18-17(15-10-6-4-7-11-15)19(14(2)23-20(18)22)26-16-12-8-5-9-13-16/h4-13,17,23H,3,22H2,1-2H3
InChIKeyURTBGKRWPCLRFP-UHFFFAOYSA-N
XLogP3.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate (CID 19837076) is ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(N)NC(C)=C(Oc2ccccc2)C1c1ccccc1.
What is the InChIKey of ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is URTBGKRWPCLRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-25-21(24)18-17(15-10-6-4-7-11-15)19(14(2)23-20(18)22)26-16-12-8-5-9-13-16/h4-13,17,23H,3,22H2,1-2H3.
What are the key properties of ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate?
ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-methyl-5-phenoxy-4-phenyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 19837076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).