2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid

C22H23N3O4 — CID 58318627

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1nc2cccnc2c(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-13(24-21(28)29-22(2,3)4)18-16(14-9-6-5-7-10-14)17(20(26)27)19-15(25-18)11-8-12-23-19/h5-13H,1-4H3,(H,24,28)(H,26,27)
InChIKeyHKOALADXNIVQLF-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.58
Rot. Bonds4

About 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid (PubChem CID 58318627) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid
PubChem CID58318627
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1nc2cccnc2c(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-13(24-21(28)29-22(2,3)4)18-16(14-9-6-5-7-10-14)17(20(26)27)19-15(25-18)11-8-12-23-19/h5-13H,1-4H3,(H,24,28)(H,26,27)
InChIKeyHKOALADXNIVQLF-UHFFFAOYSA-N
XLogP4.58
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid (CID 58318627) is 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid is CC(NC(=O)OC(C)(C)C)c1nc2cccnc2c(C(=O)O)c1-c1ccccc1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid?
The InChIKey is HKOALADXNIVQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13(24-21(28)29-22(2,3)4)18-16(14-9-6-5-7-10-14)17(20(26)27)19-15(25-18)11-8-12-23-19/h5-13H,1-4H3,(H,24,28)(H,26,27).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid has a molecular weight of 393.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenyl-1,5-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 58318627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).