1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide

C24H23N7O3 — CID 91758383

IUPAC1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide
SMILESO=C(NCC1NNNN1)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
InChIInChI=1S/C24H23N7O3/c32-22-18-11-17(16-9-5-2-6-10-16)24(34)31(14-15-7-3-1-4-8-15)19(18)12-25-21(22)23(33)26-13-20-27-29-30-28-20/h1-12,20,27-30,32H,13-14H2,(H,26,33)
InChIKeyQQRFWMPXFSHCPU-UHFFFAOYSA-N
MW457.49 g/mol
LogP0.99
Rot. Bonds6

About 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide

1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide (PubChem CID 91758383) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide
PubChem CID91758383
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide
SMILESO=C(NCC1NNNN1)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
InChIInChI=1S/C24H23N7O3/c32-22-18-11-17(16-9-5-2-6-10-16)24(34)31(14-15-7-3-1-4-8-15)19(18)12-25-21(22)23(33)26-13-20-27-29-30-28-20/h1-12,20,27-30,32H,13-14H2,(H,26,33)
InChIKeyQQRFWMPXFSHCPU-UHFFFAOYSA-N
XLogP0.99
TPSA132.34 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 50.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide (CID 91758383) is 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide is O=C(NCC1NNNN1)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O.
What is the InChIKey of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide?
The InChIKey is QQRFWMPXFSHCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c32-22-18-11-17(16-9-5-2-6-10-16)24(34)31(14-15-7-3-1-4-8-15)19(18)12-25-21(22)23(33)26-13-20-27-29-30-28-20/h1-12,20,27-30,32H,13-14H2,(H,26,33).
What are the key properties of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide?
1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 0.99, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 91758383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).