5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide

C27H33N7O5 — CID 166555800

IUPAC5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide
SMILESCCc1c(-c2ccc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])nc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C27H33N7O5/c1-2-22-23(18-32-26(28)25(22)19-3-6-21(35)7-4-19)20-5-8-24(31-17-20)27(36)30-9-11-37-13-15-39-16-14-38-12-10-33-34-29/h3-8,17-18,35H,2,9-16H2,1H3,(H2,28,32)(H,30,36)
InChIKeyGULSGYNMQUIMOE-UHFFFAOYSA-N
MW535.61 g/mol
LogP3.75
Rot. Bonds16

About 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide

5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide (PubChem CID 166555800) has the molecular formula C27H33N7O5 and a molecular weight of 535.61 g/mol. Its IUPAC name is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide
PubChem CID166555800
Molecular FormulaC27H33N7O5
Molecular Weight535.61 g/mol
Exact Mass535.25
IUPAC Name5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide
SMILESCCc1c(-c2ccc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])nc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C27H33N7O5/c1-2-22-23(18-32-26(28)25(22)19-3-6-21(35)7-4-19)20-5-8-24(31-17-20)27(36)30-9-11-37-13-15-39-16-14-38-12-10-33-34-29/h3-8,17-18,35H,2,9-16H2,1H3,(H2,28,32)(H,30,36)
InChIKeyGULSGYNMQUIMOE-UHFFFAOYSA-N
XLogP3.75
TPSA177.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.61
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide (CID 166555800) is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide is CCc1c(-c2ccc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])nc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide?
The InChIKey is GULSGYNMQUIMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O5/c1-2-22-23(18-32-26(28)25(22)19-3-6-21(35)7-4-19)20-5-8-24(31-17-20)27(36)30-9-11-37-13-15-39-16-14-38-12-10-33-34-29/h3-8,17-18,35H,2,9-16H2,1H3,(H2,28,32)(H,30,36).
What are the key properties of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide?
5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide has a molecular weight of 535.61 g/mol, XLogP of 3.75, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 166555800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).