ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate

C27H27N3O3 — CID 28593462

IUPACethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(N)C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C27H27N3O3/c1-2-33-26(31)24-22(28)18-23(19-12-6-3-7-13-19)30(25(24)20-14-8-4-9-15-20)27(32)29-21-16-10-5-11-17-21/h3-17,23,25H,2,18,28H2,1H3,(H,29,32)/t23-,25+/m1/s1
InChIKeyNKPVUUAYPKTESU-NOZRDPDXSA-N
MW441.53 g/mol
LogP5.18
Rot. Bonds5

About ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 28593462) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID28593462
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Nameethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(N)C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C27H27N3O3/c1-2-33-26(31)24-22(28)18-23(19-12-6-3-7-13-19)30(25(24)20-14-8-4-9-15-20)27(32)29-21-16-10-5-11-17-21/h3-17,23,25H,2,18,28H2,1H3,(H,29,32)/t23-,25+/m1/s1
InChIKeyNKPVUUAYPKTESU-NOZRDPDXSA-N
XLogP5.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl (2R,4S)-6-methyl-2,4-diphenyl-3-(phenylcarbamothioyl)-2,4-dihydro-1H-pyrimidine-5-carboxylate
CID 139069895
ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate
CID 130248478
ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 74392398
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54728733
ethyl (2S,6R)-4-anilino-2,6-bis(4-bromophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 132584896
ethyl 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 85469613
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554
ethyl (2R,6R)-4-hydroxy-1-[(S)-(4-methylphenyl)sulfinyl]-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54728740
ethyl (2S,6R)-2,6-diphenyl-4-[4-(trifluoromethoxy)anilino]-1-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 132584904
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
CID 102002334
ethyl 3,3-dianilino-2-cyanoprop-2-enoate
CID 4184805

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 28593462) is ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(N)C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is NKPVUUAYPKTESU-NOZRDPDXSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-2-33-26(31)24-22(28)18-23(19-12-6-3-7-13-19)30(25(24)20-14-8-4-9-15-20)27(32)29-21-16-10-5-11-17-21/h3-17,23,25H,2,18,28H2,1H3,(H,29,32)/t23-,25+/m1/s1.
What are the key properties of ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 441.53 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 28593462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).