2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(6-methyl-3-pyridinyl)acetamide

C27H25N7O2 — CID 52938073

IUPAC2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(6-methyl-3-pyridinyl)acetamide
SMILESCCn1c(N)c(-c2ncc[nH]2)c(=O)c2ccc(-c3ccc(CC(=O)Nc4ccc(C)nc4)cc3)nc21
InChIInChI=1S/C27H25N7O2/c1-3-34-25(28)23(26-29-12-13-30-26)24(36)20-10-11-21(33-27(20)34)18-7-5-17(6-8-18)14-22(35)32-19-9-4-16(2)31-15-19/h4-13,15H,3,14,28H2,1-2H3,(H,29,30)(H,32,35)
InChIKeyUDEGTIGJLNKDFU-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.94
Rot. Bonds6

About 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(6-methyl-3-pyridinyl)acetamide

2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(6-methyl-3-pyridinyl)acetamide (PubChem CID 52938073) 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-(6-methyl-3-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-(6-methyl-3-pyridinyl)acetamide
PubChem CID52938073
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-(6-methyl-3-pyridinyl)acetamide
SMILESCCn1c(N)c(-c2ncc[nH]2)c(=O)c2ccc(-c3ccc(CC(=O)Nc4ccc(C)nc4)cc3)nc21
InChIInChI=1S/C27H25N7O2/c1-3-34-25(28)23(26-29-12-13-30-26)24(36)20-10-11-21(33-27(20)34)18-7-5-17(6-8-18)14-22(35)32-19-9-4-16(2)31-15-19/h4-13,15H,3,14,28H2,1-2H3,(H,29,30)(H,32,35)
InChIKeyUDEGTIGJLNKDFU-UHFFFAOYSA-N
XLogP3.94
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.94
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-(6-methyl-3-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-(6-methyl-3-pyridinyl)acetamide (CID 52938073) is 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(6-methyl-3-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-(6-methyl-3-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-(6-methyl-3-pyridinyl)acetamide is CCn1c(N)c(-c2ncc[nH]2)c(=O)c2ccc(-c3ccc(CC(=O)Nc4ccc(C)nc4)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-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is UDEGTIGJLNKDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-3-34-25(28)23(26-29-12-13-30-26)24(36)20-10-11-21(33-27(20)34)18-7-5-17(6-8-18)14-22(35)32-19-9-4-16(2)31-15-19/h4-13,15H,3,14,28H2,1-2H3,(H,29,30)(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-(6-methyl-3-pyridinyl)acetamide?
2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]phenyl]-N-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 479.54 g/mol, XLogP of 3.94, 6 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-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 52938073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).