N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C29H27N3O — CID 134808515

IUPACN-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cnc2c(c1)N(Cc1ccccc1)CCC2
InChIInChI=1S/C29H27N3O/c33-29(31-28(23-13-6-2-7-14-23)24-15-8-3-9-16-24)25-19-27-26(30-20-25)17-10-18-32(27)21-22-11-4-1-5-12-22/h1-9,11-16,19-20,28H,10,17-18,21H2,(H,31,33)
InChIKeyZJOQLUVGUPTPSS-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.55
Rot. Bonds6

About N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134808515) has the molecular formula C29H27N3O and a molecular weight of 433.56 g/mol. Its IUPAC name is N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134808515
Molecular FormulaC29H27N3O
Molecular Weight433.56 g/mol
Exact Mass433.22
IUPAC NameN-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cnc2c(c1)N(Cc1ccccc1)CCC2
InChIInChI=1S/C29H27N3O/c33-29(31-28(23-13-6-2-7-14-23)24-15-8-3-9-16-24)25-19-27-26(30-20-25)17-10-18-32(27)21-22-11-4-1-5-12-22/h1-9,11-16,19-20,28H,10,17-18,21H2,(H,31,33)
InChIKeyZJOQLUVGUPTPSS-UHFFFAOYSA-N
XLogP5.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134808515) is N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)c1cnc2c(c1)N(Cc1ccccc1)CCC2.
What is the InChIKey of N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is ZJOQLUVGUPTPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O/c33-29(31-28(23-13-6-2-7-14-23)24-15-8-3-9-16-24)25-19-27-26(30-20-25)17-10-18-32(27)21-22-11-4-1-5-12-22/h1-9,11-16,19-20,28H,10,17-18,21H2,(H,31,33).
What are the key properties of N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-benzyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134808515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).