N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide

C26H27N5O3 — CID 134479377

IUPACN-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide
SMILESCCC1=NN(c2ccccc2)C(=O)C12CCC(NC(=O)c1ccnc3ccc(OC)nc13)CC2
InChIInChI=1S/C26H27N5O3/c1-3-21-26(25(33)31(30-21)18-7-5-4-6-8-18)14-11-17(12-15-26)28-24(32)19-13-16-27-20-9-10-22(34-2)29-23(19)20/h4-10,13,16-17H,3,11-12,14-15H2,1-2H3,(H,28,32)
InChIKeyXZRLANWZYZBIQK-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.11
Rot. Bonds5

About N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide

N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide (PubChem CID 134479377) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide
PubChem CID134479377
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide
SMILESCCC1=NN(c2ccccc2)C(=O)C12CCC(NC(=O)c1ccnc3ccc(OC)nc13)CC2
InChIInChI=1S/C26H27N5O3/c1-3-21-26(25(33)31(30-21)18-7-5-4-6-8-18)14-11-17(12-15-26)28-24(32)19-13-16-27-20-9-10-22(34-2)29-23(19)20/h4-10,13,16-17H,3,11-12,14-15H2,1-2H3,(H,28,32)
InChIKeyXZRLANWZYZBIQK-UHFFFAOYSA-N
XLogP4.11
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide?
The IUPAC name of N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide (CID 134479377) is N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide is CCC1=NN(c2ccccc2)C(=O)C12CCC(NC(=O)c1ccnc3ccc(OC)nc13)CC2.
What is the InChIKey of N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide?
The InChIKey is XZRLANWZYZBIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-3-21-26(25(33)31(30-21)18-7-5-4-6-8-18)14-11-17(12-15-26)28-24(32)19-13-16-27-20-9-10-22(34-2)29-23(19)20/h4-10,13,16-17H,3,11-12,14-15H2,1-2H3,(H,28,32).
What are the key properties of N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide?
N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-6-methoxy-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 134479377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).