2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide

C39H35N7O4 — CID 11802550

IUPAC2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2)n1
InChIInChI=1S/C39H35N7O4/c47-36(43-34(24-28-14-5-1-6-15-28)38(49)45-40-26-30-18-9-3-10-19-30)32-22-13-23-33(42-32)37(48)44-35(25-29-16-7-2-8-17-29)39(50)46-41-27-31-20-11-4-12-21-31/h1-23,26-27,34-35H,24-25H2,(H,43,47)(H,44,48)(H,45,49)(H,46,50)/b40-26+,41-27+/t34-,35-/m0/s1
InChIKeyVPYWZJYCHLEFIJ-LSIHIKNPSA-N
MW665.75 g/mol
LogP4.06
Rot. Bonds14

About 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide (PubChem CID 11802550) has the molecular formula C39H35N7O4 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide
PubChem CID11802550
Molecular FormulaC39H35N7O4
Molecular Weight665.75 g/mol
Exact Mass665.28
IUPAC Name2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2)n1
InChIInChI=1S/C39H35N7O4/c47-36(43-34(24-28-14-5-1-6-15-28)38(49)45-40-26-30-18-9-3-10-19-30)32-22-13-23-33(42-32)37(48)44-35(25-29-16-7-2-8-17-29)39(50)46-41-27-31-20-11-4-12-21-31/h1-23,26-27,34-35H,24-25H2,(H,43,47)(H,44,48)(H,45,49)(H,46,50)/b40-26+,41-27+/t34-,35-/m0/s1
InChIKeyVPYWZJYCHLEFIJ-LSIHIKNPSA-N
XLogP4.06
TPSA154.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500665.75
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-methyl-1-oxobutan-2-yl]pyridine-2,6-dicarboxamide
CID 15489577
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
anilino (2S)-2-[[6-[[(2S)-1-anilinooxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyridine-2-carbonyl]amino]-3-phenylpropanoate
CID 102149395
benzyl N-[(2S)-1-[(2Z)-2-benzylidenehydrazinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 126000546
2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide
CID 176514703
6-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 63010622
(2S)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 44591870
N-[(2S)-1-(2-benzylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 129360194
2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]-3-phenylpropanamide
CID 171981612
ethyl N-[(2R)-1-[(2Z)-2-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 137152069
(2S)-N-[(Z)-[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 126025831
N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide
CID 122529662

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide (CID 11802550) is 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2)n1.
What is the InChIKey of 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide?
The InChIKey is VPYWZJYCHLEFIJ-LSIHIKNPSA-N. The full InChI is InChI=1S/C39H35N7O4/c47-36(43-34(24-28-14-5-1-6-15-28)38(49)45-40-26-30-18-9-3-10-19-30)32-22-13-23-33(42-32)37(48)44-35(25-29-16-7-2-8-17-29)39(50)46-41-27-31-20-11-4-12-21-31/h1-23,26-27,34-35H,24-25H2,(H,43,47)(H,44,48)(H,45,49)(H,46,50)/b40-26+,41-27+/t34-,35-/m0/s1.
What are the key properties of 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide has a molecular weight of 665.75 g/mol, XLogP of 4.06, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 11802550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).