(2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide

C28H27N3O4 — CID 42480367

IUPAC(2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3ccccc3o1)C2)c1ccccc1
InChIInChI=1S/C28H27N3O4/c1-18-23(16-30-27(32)26(34-2)19-8-4-3-5-9-19)22-12-13-31(17-21(22)15-29-18)28(33)25-14-20-10-6-7-11-24(20)35-25/h3-11,14-15,26H,12-13,16-17H2,1-2H3,(H,30,32)/t26-/m1/s1
InChIKeyGVRBRVIPNZIYSQ-AREMUKBSSA-N
MW469.54 g/mol
LogP4.34
Rot. Bonds6

About (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide

(2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide (PubChem CID 42480367) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide
PubChem CID42480367
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name(2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3ccccc3o1)C2)c1ccccc1
InChIInChI=1S/C28H27N3O4/c1-18-23(16-30-27(32)26(34-2)19-8-4-3-5-9-19)22-12-13-31(17-21(22)15-29-18)28(33)25-14-20-10-6-7-11-24(20)35-25/h3-11,14-15,26H,12-13,16-17H2,1-2H3,(H,30,32)/t26-/m1/s1
InChIKeyGVRBRVIPNZIYSQ-AREMUKBSSA-N
XLogP4.34
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide (CID 42480367) is (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3ccccc3o1)C2)c1ccccc1.
What is the InChIKey of (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide?
The InChIKey is GVRBRVIPNZIYSQ-AREMUKBSSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-18-23(16-30-27(32)26(34-2)19-8-4-3-5-9-19)22-12-13-31(17-21(22)15-29-18)28(33)25-14-20-10-6-7-11-24(20)35-25/h3-11,14-15,26H,12-13,16-17H2,1-2H3,(H,30,32)/t26-/m1/s1.
What are the key properties of (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide?
(2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 469.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 42480367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).