N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide

C25H20N6O5 — CID 58024579

IUPACN-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3c(O)c4cccnc4[nH]c3=O)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H20N6O5/c1-35-16-9-5-14(6-10-16)22-28-25(30-31(22)15-7-11-17(36-2)12-8-15)29-24(34)19-20(32)18-4-3-13-26-21(18)27-23(19)33/h3-13H,1-2H3,(H,29,30,34)(H2,26,27,32,33)
InChIKeyCNHTWHHOPPVOEZ-UHFFFAOYSA-N
MW484.47 g/mol
LogP3.15
Rot. Bonds6

About N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide

N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 58024579) has the molecular formula C25H20N6O5 and a molecular weight of 484.47 g/mol. Its IUPAC name is N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID58024579
Molecular FormulaC25H20N6O5
Molecular Weight484.47 g/mol
Exact Mass484.15
IUPAC NameN-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3c(O)c4cccnc4[nH]c3=O)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H20N6O5/c1-35-16-9-5-14(6-10-16)22-28-25(30-31(22)15-7-11-17(36-2)12-8-15)29-24(34)19-20(32)18-4-3-13-26-21(18)27-23(19)33/h3-13H,1-2H3,(H,29,30,34)(H2,26,27,32,33)
InChIKeyCNHTWHHOPPVOEZ-UHFFFAOYSA-N
XLogP3.15
TPSA144.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 58024579) is N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide is COc1ccc(-c2nc(NC(=O)c3c(O)c4cccnc4[nH]c3=O)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is CNHTWHHOPPVOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O5/c1-35-16-9-5-14(6-10-16)22-28-25(30-31(22)15-7-11-17(36-2)12-8-15)29-24(34)19-20(32)18-4-3-13-26-21(18)27-23(19)33/h3-13H,1-2H3,(H,29,30,34)(H2,26,27,32,33).
What are the key properties of N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 484.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 58024579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).