2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide

C28H27N7O2 — CID 52920490

IUPAC2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide
SMILESCCc1ccnc(NC(=O)Cc2ccc(-c3ccc4c(=O)c(-c5ncc[nH]5)c(N)n(CC)c4n3)cc2)c1
InChIInChI=1S/C28H27N7O2/c1-3-17-11-12-30-22(15-17)34-23(36)16-18-5-7-19(8-6-18)21-10-9-20-25(37)24(27-31-13-14-32-27)26(29)35(4-2)28(20)33-21/h5-15H,3-4,16,29H2,1-2H3,(H,31,32)(H,30,34,36)
InChIKeyXLUCGTAZUNOQDD-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.19
Rot. Bonds7

About 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide

2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide (PubChem CID 52920490) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide
PubChem CID52920490
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide
SMILESCCc1ccnc(NC(=O)Cc2ccc(-c3ccc4c(=O)c(-c5ncc[nH]5)c(N)n(CC)c4n3)cc2)c1
InChIInChI=1S/C28H27N7O2/c1-3-17-11-12-30-22(15-17)34-23(36)16-18-5-7-19(8-6-18)21-10-9-20-25(37)24(27-31-13-14-32-27)26(29)35(4-2)28(20)33-21/h5-15H,3-4,16,29H2,1-2H3,(H,31,32)(H,30,34,36)
InChIKeyXLUCGTAZUNOQDD-UHFFFAOYSA-N
XLogP4.19
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide (CID 52920490) is 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide is CCc1ccnc(NC(=O)Cc2ccc(-c3ccc4c(=O)c(-c5ncc[nH]5)c(N)n(CC)c4n3)cc2)c1.
What is the InChIKey of 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide?
The InChIKey is XLUCGTAZUNOQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-3-17-11-12-30-22(15-17)34-23(36)16-18-5-7-19(8-6-18)21-10-9-20-25(37)24(27-31-13-14-32-27)26(29)35(4-2)28(20)33-21/h5-15H,3-4,16,29H2,1-2H3,(H,31,32)(H,30,34,36).
What are the key properties of 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide?
2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide has a molecular weight of 493.57 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(4-ethyl-2-pyridinyl)acetamide is sourced from PubChem (CID 52920490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).