2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid

C20H23N5O4 — CID 58166803

IUPAC2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid
SMILESCC(C)(C)Nc1nc(Nc2cc(C(=O)O)ccn2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C20H23N5O4/c1-20(2,3)24-17-16-12(5-7-25(8-9-26)18(16)27)10-15(23-17)22-14-11-13(19(28)29)4-6-21-14/h4-7,10-11,26H,8-9H2,1-3H3,(H,28,29)(H2,21,22,23,24)
InChIKeySTVWKGDQOFDSES-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.44
Rot. Bonds6

About 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid

2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid (PubChem CID 58166803) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid
PubChem CID58166803
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid
SMILESCC(C)(C)Nc1nc(Nc2cc(C(=O)O)ccn2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C20H23N5O4/c1-20(2,3)24-17-16-12(5-7-25(8-9-26)18(16)27)10-15(23-17)22-14-11-13(19(28)29)4-6-21-14/h4-7,10-11,26H,8-9H2,1-3H3,(H,28,29)(H2,21,22,23,24)
InChIKeySTVWKGDQOFDSES-UHFFFAOYSA-N
XLogP2.44
TPSA129.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-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

8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
CID 58166771
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
CID 58167495
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 58166654
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
CID 58166825
8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
CID 58166731
8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 58167093
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[6-(3-hydroxy-3-methylazetidin-1-yl)pyrimidin-4-yl]amino]-2,7-naphthyridin-1-one
CID 58167120
8-(tert-butylamino)-6-[[6-(1-ethoxyethenyl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
CID 58167434
8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
CID 58167056
tert-butyl 4-[6-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58167139
8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
CID 58166789
8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 50925036

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid (CID 58166803) is 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid is CC(C)(C)Nc1nc(Nc2cc(C(=O)O)ccn2)cc2ccn(CCO)c(=O)c12.
What is the InChIKey of 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is STVWKGDQOFDSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-20(2,3)24-17-16-12(5-7-25(8-9-26)18(16)27)10-15(23-17)22-14-11-13(19(28)29)4-6-21-14/h4-7,10-11,26H,8-9H2,1-3H3,(H,28,29)(H2,21,22,23,24).
What are the key properties of 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid?
2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 397.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 58166803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).