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

C27H32N4O4 — CID 26335277

IUPAC(2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc(CC(C)C)on1)C2)c1ccccc1
InChIInChI=1S/C27H32N4O4/c1-17(2)12-21-13-24(30-35-21)27(33)31-11-10-22-20(16-31)14-28-18(3)23(22)15-29-26(32)25(34-4)19-8-6-5-7-9-19/h5-9,13-14,17,25H,10-12,15-16H2,1-4H3,(H,29,32)/t25-/m0/s1
InChIKeyGPJPIXIVMMRWDI-VWLOTQADSA-N
MW476.58 g/mol
LogP3.78
Rot. Bonds8

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

(2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide (PubChem CID 26335277) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
PubChem CID26335277
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name(2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc(CC(C)C)on1)C2)c1ccccc1
InChIInChI=1S/C27H32N4O4/c1-17(2)12-21-13-24(30-35-21)27(33)31-11-10-22-20(16-31)14-28-18(3)23(22)15-29-26(32)25(34-4)19-8-6-5-7-9-19/h5-9,13-14,17,25H,10-12,15-16H2,1-4H3,(H,29,32)/t25-/m0/s1
InChIKeyGPJPIXIVMMRWDI-VWLOTQADSA-N
XLogP3.78
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide (CID 26335277) is (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide is CO[C@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc(CC(C)C)on1)C2)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?
The InChIKey is GPJPIXIVMMRWDI-VWLOTQADSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-17(2)12-21-13-24(30-35-21)27(33)31-11-10-22-20(16-31)14-28-18(3)23(22)15-29-26(32)25(34-4)19-8-6-5-7-9-19/h5-9,13-14,17,25H,10-12,15-16H2,1-4H3,(H,29,32)/t25-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?
(2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide has a molecular weight of 476.58 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 26335277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).