2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid

C21H22N4O4 — CID 67984489

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ncccc2c(C(=O)O)c1-c1ccccn1
InChIInChI=1S/C21H22N4O4/c1-12(24-20(28)29-21(2,3)4)17-16(14-9-5-6-10-22-14)15(19(26)27)13-8-7-11-23-18(13)25-17/h5-12H,1-4H3,(H,24,28)(H,26,27)
InChIKeyOXLBLGLVCNBPGA-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.98
Rot. Bonds4

About 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid (PubChem CID 67984489) 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-1,8-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid
PubChem CID67984489
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ncccc2c(C(=O)O)c1-c1ccccn1
InChIInChI=1S/C21H22N4O4/c1-12(24-20(28)29-21(2,3)4)17-16(14-9-5-6-10-22-14)15(19(26)27)13-8-7-11-23-18(13)25-17/h5-12H,1-4H3,(H,24,28)(H,26,27)
InChIKeyOXLBLGLVCNBPGA-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

Analyze 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44349821
CID 44349821
CID 49863868
CID 49863868
CID 70813517
CID 70813517
CID 70813667
CID 70813667
CID 282519
CID 282519
CID 71453123
CID 71453123
CID 71460330
CID 71460330
CID 58881861
CID 58881861
CID 70722822
CID 70722822
CID 70788863
CID 70788863
CID 171351710
CID 171351710
CID 70740034
CID 70740034

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid (CID 67984489) is 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid is CC(NC(=O)OC(C)(C)C)c1nc2ncccc2c(C(=O)O)c1-c1ccccn1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-naphthyridine-4-carboxylic acid?
The InChIKey is OXLBLGLVCNBPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-12(24-20(28)29-21(2,3)4)17-16(14-9-5-6-10-22-14)15(19(26)27)13-8-7-11-23-18(13)25-17/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-1,8-naphthyridine-4-carboxylic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,8-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-1,8-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 67984489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).