N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C26H27N3O2 — CID 134806445

IUPACN-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc2c(c1)N(C(=O)CCc1ccccc1)CCC2
InChIInChI=1S/C26H27N3O2/c1-28(19-21-11-6-3-7-12-21)26(31)22-17-24-23(27-18-22)13-8-16-29(24)25(30)15-14-20-9-4-2-5-10-20/h2-7,9-12,17-18H,8,13-16,19H2,1H3
InChIKeyXZDOZPKVNYKPOJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.27
Rot. Bonds6

About N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134806445) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134806445
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc2c(c1)N(C(=O)CCc1ccccc1)CCC2
InChIInChI=1S/C26H27N3O2/c1-28(19-21-11-6-3-7-12-21)26(31)22-17-24-23(27-18-22)13-8-16-29(24)25(30)15-14-20-9-4-2-5-10-20/h2-7,9-12,17-18H,8,13-16,19H2,1H3
InChIKeyXZDOZPKVNYKPOJ-UHFFFAOYSA-N
XLogP4.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134806445) is N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc2c(c1)N(C(=O)CCc1ccccc1)CCC2.
What is the InChIKey of N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is XZDOZPKVNYKPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-28(19-21-11-6-3-7-12-21)26(31)22-17-24-23(27-18-22)13-8-16-29(24)25(30)15-14-20-9-4-2-5-10-20/h2-7,9-12,17-18H,8,13-16,19H2,1H3.
What are the key properties of N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134806445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).