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

C21H22N4O4 — CID 58318619

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1nc2cccnc2c(C(=O)O)c1-c1ccccn1
InChIInChI=1S/C21H22N4O4/c1-12(24-20(28)29-21(2,3)4)17-15(13-8-5-6-10-22-13)16(19(26)27)18-14(25-17)9-7-11-23-18/h5-12H,1-4H3,(H,24,28)(H,26,27)
InChIKeyRYOYKEVOPVHKNU-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.98
Rot. Bonds4

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

2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid (PubChem CID 58318619) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid
PubChem CID58318619
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1nc2cccnc2c(C(=O)O)c1-c1ccccn1
InChIInChI=1S/C21H22N4O4/c1-12(24-20(28)29-21(2,3)4)17-15(13-8-5-6-10-22-13)16(19(26)27)18-14(25-17)9-7-11-23-18/h5-12H,1-4H3,(H,24,28)(H,26,27)
InChIKeyRYOYKEVOPVHKNU-UHFFFAOYSA-N
XLogP3.98
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid (CID 58318619) is 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid is CC(NC(=O)OC(C)(C)C)c1nc2cccnc2c(C(=O)O)c1-c1ccccn1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid?
The InChIKey is RYOYKEVOPVHKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-12(24-20(28)29-21(2,3)4)17-15(13-8-5-6-10-22-13)16(19(26)27)18-14(25-17)9-7-11-23-18/h5-12H,1-4H3,(H,24,28)(H,26,27).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 58318619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).