N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

C28H32N4O2 — CID 134806528

IUPACN,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CN(Cc2ccccc2)Cc2ccc(N3CCOCC3)nc21
InChIInChI=1S/C28H32N4O2/c1-28(27(33)29-18-22-8-4-2-5-9-22)21-31(19-23-10-6-3-7-11-23)20-24-12-13-25(30-26(24)28)32-14-16-34-17-15-32/h2-13H,14-21H2,1H3,(H,29,33)
InChIKeyJSCJCFCDXVVHGH-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.51
Rot. Bonds6

About N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (PubChem CID 134806528) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
PubChem CID134806528
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC NameN,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CN(Cc2ccccc2)Cc2ccc(N3CCOCC3)nc21
InChIInChI=1S/C28H32N4O2/c1-28(27(33)29-18-22-8-4-2-5-9-22)21-31(19-23-10-6-3-7-11-23)20-24-12-13-25(30-26(24)28)32-14-16-34-17-15-32/h2-13H,14-21H2,1H3,(H,29,33)
InChIKeyJSCJCFCDXVVHGH-UHFFFAOYSA-N
XLogP3.51
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (CID 134806528) is N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is CC1(C(=O)NCc2ccccc2)CN(Cc2ccccc2)Cc2ccc(N3CCOCC3)nc21.
What is the InChIKey of N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The InChIKey is JSCJCFCDXVVHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-28(27(33)29-18-22-8-4-2-5-9-22)21-31(19-23-10-6-3-7-11-23)20-24-12-13-25(30-26(24)28)32-14-16-34-17-15-32/h2-13H,14-21H2,1H3,(H,29,33).
What are the key properties of N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 134806528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).