N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C25H27N3O4 — CID 134807372

IUPACN-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cnc3c(c2)N(c2ccccc2OC)CCC3)cc(OC)c1
InChIInChI=1S/C25H27N3O4/c1-30-19-11-17(12-20(14-19)31-2)15-27-25(29)18-13-23-21(26-16-18)7-6-10-28(23)22-8-4-5-9-24(22)32-3/h4-5,8-9,11-14,16H,6-7,10,15H2,1-3H3,(H,27,29)
InChIKeyWYAKJVXHTIBXRW-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.12
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134807372) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134807372
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cnc3c(c2)N(c2ccccc2OC)CCC3)cc(OC)c1
InChIInChI=1S/C25H27N3O4/c1-30-19-11-17(12-20(14-19)31-2)15-27-25(29)18-13-23-21(26-16-18)7-6-10-28(23)22-8-4-5-9-24(22)32-3/h4-5,8-9,11-14,16H,6-7,10,15H2,1-3H3,(H,27,29)
InChIKeyWYAKJVXHTIBXRW-UHFFFAOYSA-N
XLogP4.12
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134807372) is N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is COc1cc(CNC(=O)c2cnc3c(c2)N(c2ccccc2OC)CCC3)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is WYAKJVXHTIBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-30-19-11-17(12-20(14-19)31-2)15-27-25(29)18-13-23-21(26-16-18)7-6-10-28(23)22-8-4-5-9-24(22)32-3/h4-5,8-9,11-14,16H,6-7,10,15H2,1-3H3,(H,27,29).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134807372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).