benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C19H18N4O2 — CID 134949953

IUPACbenzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILES[N-]=[N+]=Nc1ccccc1C1=CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c20-22-21-18-9-5-4-8-17(18)16-10-12-23(13-11-16)19(24)25-14-15-6-2-1-3-7-15/h1-10H,11-14H2
InChIKeyPRDZUOARUYUKAA-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.05
Rot. Bonds4

About benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134949953) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID134949953
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Namebenzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILES[N-]=[N+]=Nc1ccccc1C1=CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c20-22-21-18-9-5-4-8-17(18)16-10-12-23(13-11-16)19(24)25-14-15-6-2-1-3-7-15/h1-10H,11-14H2
InChIKeyPRDZUOARUYUKAA-UHFFFAOYSA-N
XLogP5.05
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 134949953) is benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is [N-]=[N+]=Nc1ccccc1C1=CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PRDZUOARUYUKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-22-21-18-9-5-4-8-17(18)16-10-12-23(13-11-16)19(24)25-14-15-6-2-1-3-7-15/h1-10H,11-14H2.
What are the key properties of benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-azidophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134949953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).