ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate

C17H17N3O2 — CID 1489423

IUPACethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-4-22-17(21)14-10-13(11-18)16(20(2)3)19-15(14)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKeyIDCROIRENZSCPB-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.86
Rot. Bonds4

About ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate

ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate (PubChem CID 1489423) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate
PubChem CID1489423
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Nameethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-4-22-17(21)14-10-13(11-18)16(20(2)3)19-15(14)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKeyIDCROIRENZSCPB-UHFFFAOYSA-N
XLogP2.86
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2769127
ethyl 6-(4-chlorophenyl)-5-cyano-2-methylpyridine-3-carboxylate
CID 123633376
2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 82122645
ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 165350273
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate
CID 56647866
ethyl 5-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,6-dimethylpyridine-3-carboxylate
CID 139072856
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 2-[benzyl(methyl)amino]-4-phenylpyrimidine-5-carboxylate
CID 68644845
ethyl 5-cyano-2-methyl-6-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 16611667
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate (CID 1489423) is ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(N(C)C)nc1-c1ccccc1.
What is the InChIKey of ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate?
The InChIKey is IDCROIRENZSCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-22-17(21)14-10-13(11-18)16(20(2)3)19-15(14)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate?
ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 1489423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).