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

C27H25N7O2 — CID 52938197

IUPAC2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCn1c(N)c(-c2ncc[nH]2)c(=O)c2ccc(-c3ccc(CC(=O)NCc4ccncc4)cc3)nc21
InChIInChI=1S/C27H25N7O2/c1-2-34-25(28)23(26-30-13-14-31-26)24(36)20-7-8-21(33-27(20)34)19-5-3-17(4-6-19)15-22(35)32-16-18-9-11-29-12-10-18/h3-14H,2,15-16,28H2,1H3,(H,30,31)(H,32,35)
InChIKeySDAKBISJOHLOEY-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.31
Rot. Bonds7

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

2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 52938197) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 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-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID52938197
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCn1c(N)c(-c2ncc[nH]2)c(=O)c2ccc(-c3ccc(CC(=O)NCc4ccncc4)cc3)nc21
InChIInChI=1S/C27H25N7O2/c1-2-34-25(28)23(26-30-13-14-31-26)24(36)20-7-8-21(33-27(20)34)19-5-3-17(4-6-19)15-22(35)32-16-18-9-11-29-12-10-18/h3-14H,2,15-16,28H2,1H3,(H,30,31)(H,32,35)
InChIKeySDAKBISJOHLOEY-UHFFFAOYSA-N
XLogP3.31
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.31
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-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)acetamide (CID 52938197) is 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)acetamide is CCn1c(N)c(-c2ncc[nH]2)c(=O)c2ccc(-c3ccc(CC(=O)NCc4ccncc4)cc3)nc21.
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-(pyridin-4-ylmethyl)acetamide?
The InChIKey is SDAKBISJOHLOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-2-34-25(28)23(26-30-13-14-31-26)24(36)20-7-8-21(33-27(20)34)19-5-3-17(4-6-19)15-22(35)32-16-18-9-11-29-12-10-18/h3-14H,2,15-16,28H2,1H3,(H,30,31)(H,32,35).
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-(pyridin-4-ylmethyl)acetamide?
2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 479.54 g/mol, XLogP of 3.31, 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-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 52938197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).